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87783-91-3 | Oxazole, 5-methoxy-2-methyl-4-(2-methylpropyl)-
CAS No: 87783-91-3 Catalog No: AG004KYE MDL No:
Product Description
Catalog Number:
AG004KYE
Chemical Name:
Oxazole, 5-methoxy-2-methyl-4-(2-methylpropyl)-
CAS Number:
87783-91-3
Molecular Formula:
C9H15NO2
Molecular Weight:
169.2209
IUPAC Name:
5-methoxy-2-methyl-4-(2-methylpropyl)-1,3-oxazole
InChI:
InChI=1S/C9H15NO2/c1-6(2)5-8-9(11-4)12-7(3)10-8/h6H,5H2,1-4H3
InChI Key:
CNDIMVWETXUPNO-UHFFFAOYSA-N
SMILES:
COc1oc(nc1CC(C)C)C
Properties
Complexity:
139
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
169.11g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
169.224g/mol
Monoisotopic Mass:
169.11g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
35.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
Literature
| Title | Journal |
|---|---|
| Methyl 2-acetamido-2-(4-hy-droxy-2-methyl-1,3-dioxo-1,2,3,4-tetra-hydro-isoquinolin-4-yl)-4-methyl-penta-noate. | Acta crystallographica. Section E, Structure reports online 20110701 |
| Methyl 4'-isobutyl-2,2'-dimethyl-1,3-dioxo-2,3-dihydro-1H,4'H-spiro-[iso-quinoline-4,5'-oxazole]-4'-carboxyl-ate. | Acta crystallographica. Section E, Structure reports online 20110601 |
| (1S*,4'S*,5R*)-1-Isobutyl-5-meth-oxy-2',3-dimethyl-4,6-dioxa-2-aza-spiro-[bicyclo-[3.2.0]hept-2-ene-7,4'-isoquinoline]-1',3'(2'H,4'H)-dione. | Acta crystallographica. Section E, Structure reports online 20110501 |
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