(2S)-N-phenyl-1-(5-phenyl-1,2-oxazole-3-carbonyl)pyrrolidine-2-carboxamide

C21H19N3O3 — CID 30855025

IUPAC(2S)-N-phenyl-1-(5-phenyl-1,2-oxazole-3-carbonyl)pyrrolidine-2-carboxamide
SMILESO=C(Nc1ccccc1)[C@@H]1CCCN1C(=O)c1cc(-c2ccccc2)on1
InChIInChI=1S/C21H19N3O3/c25-20(22-16-10-5-2-6-11-16)18-12-7-13-24(18)21(26)17-14-19(27-23-17)15-8-3-1-4-9-15/h1-6,8-11,14,18H,7,12-13H2,(H,22,25)/t18-/m0/s1
InChIKeyKHJJMKLKJGYDGG-SFHVURJKSA-N
MW361.40 g/mol
LogP3.58
Rot. Bonds4

About (2S)-N-phenyl-1-(5-phenyl-1,2-oxazole-3-carbonyl)pyrrolidine-2-carboxamide

(2S)-N-phenyl-1-(5-phenyl-1,2-oxazole-3-carbonyl)pyrrolidine-2-carboxamide (PubChem CID 30855025) has the molecular formula C21H19N3O3 and a molecular weight of 361.40 g/mol. Its IUPAC name is (2S)-N-phenyl-1-(5-phenyl-1,2-oxazole-3-carbonyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-phenyl-1-(5-phenyl-1,2-oxazole-3-carbonyl)pyrrolidine-2-carboxamide
PubChem CID30855025
Molecular FormulaC21H19N3O3
Molecular Weight361.40 g/mol
Exact Mass361.14
IUPAC Name(2S)-N-phenyl-1-(5-phenyl-1,2-oxazole-3-carbonyl)pyrrolidine-2-carboxamide
SMILESO=C(Nc1ccccc1)[C@@H]1CCCN1C(=O)c1cc(-c2ccccc2)on1
InChIInChI=1S/C21H19N3O3/c25-20(22-16-10-5-2-6-11-16)18-12-7-13-24(18)21(26)17-14-19(27-23-17)15-8-3-1-4-9-15/h1-6,8-11,14,18H,7,12-13H2,(H,22,25)/t18-/m0/s1
InChIKeyKHJJMKLKJGYDGG-SFHVURJKSA-N
XLogP3.58
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.40
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-methyl-1,2-oxazole-5-carbonyl)-N-phenylpyrrolidine-2-carboxamide
CID 51077333
[2-(hydroxymethyl)pyrrolidin-1-yl]-(5-phenyl-1,2-oxazol-3-yl)methanone
CID 61411316
(2S)-1-[5-(3-chlorophenyl)-1,2-oxazole-3-carbonyl]pyrrolidine-2-carboxylic acid
CID 119366011
(2-methylpiperidin-1-yl)-(5-phenyl-1,2-oxazol-3-yl)methanone
CID 3158156
(2S)-2-(phenylcarbamoyl)pyrrolidine-1-carboxylic acid
CID 69195937
[(3S)-3-anilinopiperidin-1-yl]-(5-phenyl-1,2-oxazol-3-yl)methanone
CID 42292828
[(3R)-3-anilinopiperidin-1-yl]-(5-phenyl-1,2-oxazol-3-yl)methanone
CID 42292827
1-benzoyl-N-pyridin-4-ylpyrrolidine-2-carboxamide
CID 138995698
(2S)-1-(4-methylbenzoyl)-N-phenylpyrrolidine-2-carboxamide
CID 92668343
(2S)-N-(5-methyl-1,2-oxazol-3-yl)-1-(4-phenylbenzoyl)pyrrolidine-2-carboxamide
CID 110284824
(2S)-1-[2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrole-3-carbonyl]-N-phenylpyrrolidine-2-carboxamide
CID 30890128
(2R)-1-N-phenyl-2-N-(2-phenylphenyl)pyrrolidine-1,2-dicarboxamide
CID 51687470

Frequently Asked Questions

What is the IUPAC name of (2S)-N-phenyl-1-(5-phenyl-1,2-oxazole-3-carbonyl)pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-phenyl-1-(5-phenyl-1,2-oxazole-3-carbonyl)pyrrolidine-2-carboxamide (CID 30855025) is (2S)-N-phenyl-1-(5-phenyl-1,2-oxazole-3-carbonyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-phenyl-1-(5-phenyl-1,2-oxazole-3-carbonyl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-phenyl-1-(5-phenyl-1,2-oxazole-3-carbonyl)pyrrolidine-2-carboxamide is O=C(Nc1ccccc1)[C@@H]1CCCN1C(=O)c1cc(-c2ccccc2)on1.
What is the InChIKey of (2S)-N-phenyl-1-(5-phenyl-1,2-oxazole-3-carbonyl)pyrrolidine-2-carboxamide?
The InChIKey is KHJJMKLKJGYDGG-SFHVURJKSA-N. The full InChI is InChI=1S/C21H19N3O3/c25-20(22-16-10-5-2-6-11-16)18-12-7-13-24(18)21(26)17-14-19(27-23-17)15-8-3-1-4-9-15/h1-6,8-11,14,18H,7,12-13H2,(H,22,25)/t18-/m0/s1.
What are the key properties of (2S)-N-phenyl-1-(5-phenyl-1,2-oxazole-3-carbonyl)pyrrolidine-2-carboxamide?
(2S)-N-phenyl-1-(5-phenyl-1,2-oxazole-3-carbonyl)pyrrolidine-2-carboxamide has a molecular weight of 361.40 g/mol, XLogP of 3.58, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-phenyl-1-(5-phenyl-1,2-oxazole-3-carbonyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 30855025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).