(2R)-N-(4-acetylphenyl)-1-(1,3-benzoxazol-2-yl)pyrrolidine-2-carboxamide

C20H19N3O3 — CID 97427914

IUPAC(2R)-N-(4-acetylphenyl)-1-(1,3-benzoxazol-2-yl)pyrrolidine-2-carboxamide
SMILESCC(=O)c1ccc(NC(=O)[C@H]2CCCN2c2nc3ccccc3o2)cc1
InChIInChI=1S/C20H19N3O3/c1-13(24)14-8-10-15(11-9-14)21-19(25)17-6-4-12-23(17)20-22-16-5-2-3-7-18(16)26-20/h2-3,5,7-11,17H,4,6,12H2,1H3,(H,21,25)/t17-/m1/s1
InChIKeyPPFXGEWUOPBRMY-QGZVFWFLSA-N
MW349.39 g/mol
LogP3.64
Rot. Bonds4

About (2R)-N-(4-acetylphenyl)-1-(1,3-benzoxazol-2-yl)pyrrolidine-2-carboxamide

(2R)-N-(4-acetylphenyl)-1-(1,3-benzoxazol-2-yl)pyrrolidine-2-carboxamide (PubChem CID 97427914) has the molecular formula C20H19N3O3 and a molecular weight of 349.39 g/mol. Its IUPAC name is (2R)-N-(4-acetylphenyl)-1-(1,3-benzoxazol-2-yl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-(4-acetylphenyl)-1-(1,3-benzoxazol-2-yl)pyrrolidine-2-carboxamide
PubChem CID97427914
Molecular FormulaC20H19N3O3
Molecular Weight349.39 g/mol
Exact Mass349.14
IUPAC Name(2R)-N-(4-acetylphenyl)-1-(1,3-benzoxazol-2-yl)pyrrolidine-2-carboxamide
SMILESCC(=O)c1ccc(NC(=O)[C@H]2CCCN2c2nc3ccccc3o2)cc1
InChIInChI=1S/C20H19N3O3/c1-13(24)14-8-10-15(11-9-14)21-19(25)17-6-4-12-23(17)20-22-16-5-2-3-7-18(16)26-20/h2-3,5,7-11,17H,4,6,12H2,1H3,(H,21,25)/t17-/m1/s1
InChIKeyPPFXGEWUOPBRMY-QGZVFWFLSA-N
XLogP3.64
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(1,3-benzoxazol-2-yl)-N-[3-(methanesulfonamido)phenyl]pyrrolidine-2-carboxamide
CID 126850565
1-(1,3-benzoxazol-2-yl)-N-(2-bromophenyl)pyrrolidine-2-carboxamide
CID 71809846
(2S)-1-(1,3-benzoxazol-2-yl)-N-(4,5-dimethyl-1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
CID 124759150
N-(4-acetylphenyl)-1-quinazolin-4-ylpyrrolidine-2-carboxamide
CID 42884115
(2R)-1-(1,3-benzoxazol-2-yl)pyrrolidine-2-carboxylic acid
CID 93429227
diethyl 2-[[(2R)-1-(1,3-benzoxazol-2-yl)pyrrolidine-2-carbonyl]amino]propanedioate
CID 99903586
N-(2,1,3-benzothiadiazol-4-yl)-1-(1,3-benzoxazol-2-yl)pyrrolidine-2-carboxamide
CID 126850569
1-(1,3-benzoxazol-2-yl)-N-(2-methoxy-5-methylphenyl)pyrrolidine-2-carboxamide
CID 133307057
[(2S)-1-(1,3-benzoxazol-2-yl)pyrrolidin-2-yl]-(4-methylpiperazin-1-yl)methanone
CID 95583386
propan-2-yl 1-(1,3-benzoxazol-2-yl)pyrrolidine-2-carboxylate
CID 23397364
(2R)-1-(1,3-benzoxazol-2-yl)-N-[(4-fluorophenyl)methyl]pyrrolidine-2-carboxamide
CID 97427865
1-[[1-(1,3-benzoxazol-2-yl)pyrrolidin-2-yl]methyl]-3-phenylurea
CID 90619144

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(4-acetylphenyl)-1-(1,3-benzoxazol-2-yl)pyrrolidine-2-carboxamide?
The IUPAC name of (2R)-N-(4-acetylphenyl)-1-(1,3-benzoxazol-2-yl)pyrrolidine-2-carboxamide (CID 97427914) is (2R)-N-(4-acetylphenyl)-1-(1,3-benzoxazol-2-yl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-N-(4-acetylphenyl)-1-(1,3-benzoxazol-2-yl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-N-(4-acetylphenyl)-1-(1,3-benzoxazol-2-yl)pyrrolidine-2-carboxamide is CC(=O)c1ccc(NC(=O)[C@H]2CCCN2c2nc3ccccc3o2)cc1.
What is the InChIKey of (2R)-N-(4-acetylphenyl)-1-(1,3-benzoxazol-2-yl)pyrrolidine-2-carboxamide?
The InChIKey is PPFXGEWUOPBRMY-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H19N3O3/c1-13(24)14-8-10-15(11-9-14)21-19(25)17-6-4-12-23(17)20-22-16-5-2-3-7-18(16)26-20/h2-3,5,7-11,17H,4,6,12H2,1H3,(H,21,25)/t17-/m1/s1.
What are the key properties of (2R)-N-(4-acetylphenyl)-1-(1,3-benzoxazol-2-yl)pyrrolidine-2-carboxamide?
(2R)-N-(4-acetylphenyl)-1-(1,3-benzoxazol-2-yl)pyrrolidine-2-carboxamide has a molecular weight of 349.39 g/mol, XLogP of 3.64, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(4-acetylphenyl)-1-(1,3-benzoxazol-2-yl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 97427914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).