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92338-74-4 | 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-methylpyrrolidin-2-one
CAS No: 92338-74-4 Catalog No: AG0067HL MDL No:
Product Description
Catalog Number:
AG0067HL
Chemical Name:
1-(5-tert-butyl-1,2-oxazol-3-yl)-3-methylpyrrolidin-2-one
CAS Number:
92338-74-4
Molecular Formula:
C12H18N2O2
Molecular Weight:
222.2835
IUPAC Name:
1-(5-tert-butyl-1,2-oxazol-3-yl)-3-methylpyrrolidin-2-one
InChI:
InChI=1S/C12H18N2O2/c1-8-5-6-14(11(8)15)10-7-9(16-13-10)12(2,3)4/h7-8H,5-6H2,1-4H3
InChI Key:
DLQYQOFFVOWSEL-UHFFFAOYSA-N
SMILES:
O=C1C(C)CCN1c1noc(c1)C(C)(C)C
Properties
Complexity:
285
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.137g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
222.288g/mol
Monoisotopic Mass:
222.137g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
46.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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