(3S)-1-(2-methyl-1,3-benzoxazol-5-yl)-5-oxo-N-phenylpyrrolidine-3-carboxamide

C19H17N3O3 — CID 95098992

IUPAC(3S)-1-(2-methyl-1,3-benzoxazol-5-yl)-5-oxo-N-phenylpyrrolidine-3-carboxamide
SMILESCc1nc2cc(N3C[C@@H](C(=O)Nc4ccccc4)CC3=O)ccc2o1
InChIInChI=1S/C19H17N3O3/c1-12-20-16-10-15(7-8-17(16)25-12)22-11-13(9-18(22)23)19(24)21-14-5-3-2-4-6-14/h2-8,10,13H,9,11H2,1H3,(H,21,24)/t13-/m0/s1
InChIKeyJFJPVXGDRHKPHQ-ZDUSSCGKSA-N
MW335.36 g/mol
LogP3.13
Rot. Bonds3

About (3S)-1-(2-methyl-1,3-benzoxazol-5-yl)-5-oxo-N-phenylpyrrolidine-3-carboxamide

(3S)-1-(2-methyl-1,3-benzoxazol-5-yl)-5-oxo-N-phenylpyrrolidine-3-carboxamide (PubChem CID 95098992) has the molecular formula C19H17N3O3 and a molecular weight of 335.36 g/mol. Its IUPAC name is (3S)-1-(2-methyl-1,3-benzoxazol-5-yl)-5-oxo-N-phenylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-(2-methyl-1,3-benzoxazol-5-yl)-5-oxo-N-phenylpyrrolidine-3-carboxamide
PubChem CID95098992
Molecular FormulaC19H17N3O3
Molecular Weight335.36 g/mol
Exact Mass335.13
IUPAC Name(3S)-1-(2-methyl-1,3-benzoxazol-5-yl)-5-oxo-N-phenylpyrrolidine-3-carboxamide
SMILESCc1nc2cc(N3C[C@@H](C(=O)Nc4ccccc4)CC3=O)ccc2o1
InChIInChI=1S/C19H17N3O3/c1-12-20-16-10-15(7-8-17(16)25-12)22-11-13(9-18(22)23)19(24)21-14-5-3-2-4-6-14/h2-8,10,13H,9,11H2,1H3,(H,21,24)/t13-/m0/s1
InChIKeyJFJPVXGDRHKPHQ-ZDUSSCGKSA-N
XLogP3.13
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.36
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-N-(3-bromophenyl)-1-(2-methyl-1,3-benzoxazol-5-yl)-5-oxopyrrolidine-3-carboxamide
CID 95098994
ethyl 3-[[(3S)-1-(2-methyl-1,3-benzoxazol-5-yl)-5-oxopyrrolidine-3-carbonyl]amino]benzoate
CID 95098876
1-(2,3-dihydro-1H-inden-5-yl)-N-(2-methyl-1,3-benzoxazol-5-yl)-5-oxopyrrolidine-3-carboxamide
CID 46581440
(3S)-1-(3,4-dimethylphenyl)-5-oxo-N-phenylpyrrolidine-3-carboxamide
CID 40977070
N-[(3,4-dimethylphenyl)methyl]-1-(2-methyl-1,3-benzoxazol-5-yl)-5-oxopyrrolidine-3-carboxamide
CID 53155943
(3S)-N-[(4-chlorophenyl)methyl]-1-(2-methyl-1,3-benzoxazol-5-yl)-5-oxopyrrolidine-3-carboxamide
CID 95098864
4-hydroxy-1-(2-methyl-1,3-benzoxazol-5-yl)pyrrolidin-2-one
CID 168702768
N-(2-methyl-1,3-benzoxazol-5-yl)-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 51187342
1-(2-methoxy-5-methylphenyl)-N-(2-methyl-1,3-benzoxazol-5-yl)-5-oxopyrrolidine-3-carboxamide
CID 60520234
N-[(3-chloro-4-fluorophenyl)methyl]-1-(2-methyl-1,3-benzoxazol-5-yl)-5-oxopyrrolidine-3-carboxamide
CID 53155936
(3S)-1-[2-(2-methylphenyl)-1,3-benzoxazol-5-yl]-5-oxopyrrolidine-3-carboxylic acid
CID 94671729
(3R)-1-(4-chlorophenyl)-5-oxo-N-phenylpyrrolidine-3-carboxamide
CID 785744

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(2-methyl-1,3-benzoxazol-5-yl)-5-oxo-N-phenylpyrrolidine-3-carboxamide?
The IUPAC name of (3S)-1-(2-methyl-1,3-benzoxazol-5-yl)-5-oxo-N-phenylpyrrolidine-3-carboxamide (CID 95098992) is (3S)-1-(2-methyl-1,3-benzoxazol-5-yl)-5-oxo-N-phenylpyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-1-(2-methyl-1,3-benzoxazol-5-yl)-5-oxo-N-phenylpyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-1-(2-methyl-1,3-benzoxazol-5-yl)-5-oxo-N-phenylpyrrolidine-3-carboxamide is Cc1nc2cc(N3C[C@@H](C(=O)Nc4ccccc4)CC3=O)ccc2o1.
What is the InChIKey of (3S)-1-(2-methyl-1,3-benzoxazol-5-yl)-5-oxo-N-phenylpyrrolidine-3-carboxamide?
The InChIKey is JFJPVXGDRHKPHQ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H17N3O3/c1-12-20-16-10-15(7-8-17(16)25-12)22-11-13(9-18(22)23)19(24)21-14-5-3-2-4-6-14/h2-8,10,13H,9,11H2,1H3,(H,21,24)/t13-/m0/s1.
What are the key properties of (3S)-1-(2-methyl-1,3-benzoxazol-5-yl)-5-oxo-N-phenylpyrrolidine-3-carboxamide?
(3S)-1-(2-methyl-1,3-benzoxazol-5-yl)-5-oxo-N-phenylpyrrolidine-3-carboxamide has a molecular weight of 335.36 g/mol, XLogP of 3.13, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(2-methyl-1,3-benzoxazol-5-yl)-5-oxo-N-phenylpyrrolidine-3-carboxamide is sourced from PubChem (CID 95098992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).