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

C25H22N4O3 — CID 57457627

IUPAC(2S)-1-(3-phenyl-1,2-oxazole-5-carbonyl)-N-(2-pyrrol-1-ylphenyl)pyrrolidine-2-carboxamide
SMILESO=C(Nc1ccccc1-n1cccc1)[C@@H]1CCCN1C(=O)c1cc(-c2ccccc2)no1
InChIInChI=1S/C25H22N4O3/c30-24(26-19-11-4-5-12-21(19)28-14-6-7-15-28)22-13-8-16-29(22)25(31)23-17-20(27-32-23)18-9-2-1-3-10-18/h1-7,9-12,14-15,17,22H,8,13,16H2,(H,26,30)/t22-/m0/s1
InChIKeyWODYKZDAAKXJSU-QFIPXVFZSA-N
MW426.48 g/mol
LogP4.38
Rot. Bonds5

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

(2S)-1-(3-phenyl-1,2-oxazole-5-carbonyl)-N-(2-pyrrol-1-ylphenyl)pyrrolidine-2-carboxamide (PubChem CID 57457627) has the molecular formula C25H22N4O3 and a molecular weight of 426.48 g/mol. Its IUPAC name is (2S)-1-(3-phenyl-1,2-oxazole-5-carbonyl)-N-(2-pyrrol-1-ylphenyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-(3-phenyl-1,2-oxazole-5-carbonyl)-N-(2-pyrrol-1-ylphenyl)pyrrolidine-2-carboxamide
PubChem CID57457627
Molecular FormulaC25H22N4O3
Molecular Weight426.48 g/mol
Exact Mass426.17
IUPAC Name(2S)-1-(3-phenyl-1,2-oxazole-5-carbonyl)-N-(2-pyrrol-1-ylphenyl)pyrrolidine-2-carboxamide
SMILESO=C(Nc1ccccc1-n1cccc1)[C@@H]1CCCN1C(=O)c1cc(-c2ccccc2)no1
InChIInChI=1S/C25H22N4O3/c30-24(26-19-11-4-5-12-21(19)28-14-6-7-15-28)22-13-8-16-29(22)25(31)23-17-20(27-32-23)18-9-2-1-3-10-18/h1-7,9-12,14-15,17,22H,8,13,16H2,(H,26,30)/t22-/m0/s1
InChIKeyWODYKZDAAKXJSU-QFIPXVFZSA-N
XLogP4.38
TPSA80.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.48
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-phenyl-1,2-oxazole-5-carbonyl)piperidine-2-carboxylic acid
CID 119176237
[2-(methylaminomethyl)pyrrolidin-1-yl]-(3-phenyl-1,2-oxazol-5-yl)methanone
CID 119651558
1-(3-methyl-1,2-oxazole-5-carbonyl)-N-phenylpyrrolidine-2-carboxamide
CID 51077333
[(2S)-2-(furan-2-yl)pyrrolidin-1-yl]-(3-phenyl-1,2-oxazol-5-yl)methanone
CID 51550762
(3-phenyl-1,2-oxazol-5-yl)-(2-pyridin-4-ylpyrrolidin-1-yl)methanone
CID 51081134
methyl 1-[3-[4-[(2-fluorophenyl)carbamoylamino]phenyl]-1,2-oxazole-5-carbonyl]pyrrolidine-2-carboxylate
CID 67353310
(2S)-N-phenyl-1-(5-phenyl-1,2-oxazole-3-carbonyl)pyrrolidine-2-carboxamide
CID 30855025
(3-phenyl-1,2-oxazol-5-yl)-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]methanone
CID 51612891
1-N-(2-pyrrol-1-ylphenyl)pyrrolidine-1,2-dicarboxamide
CID 22223644
(2S)-1-[2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetyl]-N-(2-pyrrol-1-ylphenyl)pyrrolidine-2-carboxamide
CID 143338696
(2S)-1-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)sulfanyl]acetyl]-N-(2-pyrrol-1-ylphenyl)pyrrolidine-2-carboxamide
CID 57457595
(2S)-N-(5-methyl-1,2-oxazol-3-yl)-1-(4-phenylbenzoyl)pyrrolidine-2-carboxamide
CID 110284824

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(3-phenyl-1,2-oxazole-5-carbonyl)-N-(2-pyrrol-1-ylphenyl)pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-1-(3-phenyl-1,2-oxazole-5-carbonyl)-N-(2-pyrrol-1-ylphenyl)pyrrolidine-2-carboxamide (CID 57457627) is (2S)-1-(3-phenyl-1,2-oxazole-5-carbonyl)-N-(2-pyrrol-1-ylphenyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-1-(3-phenyl-1,2-oxazole-5-carbonyl)-N-(2-pyrrol-1-ylphenyl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-1-(3-phenyl-1,2-oxazole-5-carbonyl)-N-(2-pyrrol-1-ylphenyl)pyrrolidine-2-carboxamide is O=C(Nc1ccccc1-n1cccc1)[C@@H]1CCCN1C(=O)c1cc(-c2ccccc2)no1.
What is the InChIKey of (2S)-1-(3-phenyl-1,2-oxazole-5-carbonyl)-N-(2-pyrrol-1-ylphenyl)pyrrolidine-2-carboxamide?
The InChIKey is WODYKZDAAKXJSU-QFIPXVFZSA-N. The full InChI is InChI=1S/C25H22N4O3/c30-24(26-19-11-4-5-12-21(19)28-14-6-7-15-28)22-13-8-16-29(22)25(31)23-17-20(27-32-23)18-9-2-1-3-10-18/h1-7,9-12,14-15,17,22H,8,13,16H2,(H,26,30)/t22-/m0/s1.
What are the key properties of (2S)-1-(3-phenyl-1,2-oxazole-5-carbonyl)-N-(2-pyrrol-1-ylphenyl)pyrrolidine-2-carboxamide?
(2S)-1-(3-phenyl-1,2-oxazole-5-carbonyl)-N-(2-pyrrol-1-ylphenyl)pyrrolidine-2-carboxamide has a molecular weight of 426.48 g/mol, XLogP of 4.38, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(3-phenyl-1,2-oxazole-5-carbonyl)-N-(2-pyrrol-1-ylphenyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 57457627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).