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198821-79-3 | Benzenamine, 3-methoxy-4-(5-oxazolyl)-
CAS No: 198821-79-3 Catalog No: AG002BRF MDL No:MFCD03844645
Product Description
Catalog Number:
AG002BRF
Chemical Name:
Benzenamine, 3-methoxy-4-(5-oxazolyl)-
CAS Number:
198821-79-3
Molecular Formula:
C10H10N2O2
Molecular Weight:
190.1986
MDL Number:
MFCD03844645
IUPAC Name:
3-methoxy-4-(1,3-oxazol-5-yl)aniline
InChI:
InChI=1S/C10H10N2O2/c1-13-9-4-7(11)2-3-8(9)10-5-12-6-14-10/h2-6H,11H2,1H3
InChI Key:
KYCMMXMEXWSPCV-UHFFFAOYSA-N
SMILES:
COc1cc(N)ccc1c1cnco1
Properties
Complexity:
189
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
190.074g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
190.202g/mol
Monoisotopic Mass:
190.074g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
61.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
Literature
| Title | Journal |
|---|---|
| Low molecular weight indole fragments as IMPDH inhibitors. | Bioorganic & medicinal chemistry letters 20060501 |
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