(2S)-N-(5-methyl-1,2-oxazol-3-yl)-1-(3-phenylbenzoyl)pyrrolidine-2-carboxamide

C22H21N3O3 — CID 110284825

IUPAC(2S)-N-(5-methyl-1,2-oxazol-3-yl)-1-(3-phenylbenzoyl)pyrrolidine-2-carboxamide
SMILESCc1cc(NC(=O)[C@@H]2CCCN2C(=O)c2cccc(-c3ccccc3)c2)no1
InChIInChI=1S/C22H21N3O3/c1-15-13-20(24-28-15)23-21(26)19-11-6-12-25(19)22(27)18-10-5-9-17(14-18)16-7-3-2-4-8-16/h2-5,7-10,13-14,19H,6,11-12H2,1H3,(H,23,24,26)/t19-/m0/s1
InChIKeyCVLNQOBYZHZTNV-IBGZPJMESA-N
MW375.43 g/mol
LogP3.89
Rot. Bonds4

About (2S)-N-(5-methyl-1,2-oxazol-3-yl)-1-(3-phenylbenzoyl)pyrrolidine-2-carboxamide

(2S)-N-(5-methyl-1,2-oxazol-3-yl)-1-(3-phenylbenzoyl)pyrrolidine-2-carboxamide (PubChem CID 110284825) has the molecular formula C22H21N3O3 and a molecular weight of 375.43 g/mol. Its IUPAC name is (2S)-N-(5-methyl-1,2-oxazol-3-yl)-1-(3-phenylbenzoyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-(5-methyl-1,2-oxazol-3-yl)-1-(3-phenylbenzoyl)pyrrolidine-2-carboxamide
PubChem CID110284825
Molecular FormulaC22H21N3O3
Molecular Weight375.43 g/mol
Exact Mass375.16
IUPAC Name(2S)-N-(5-methyl-1,2-oxazol-3-yl)-1-(3-phenylbenzoyl)pyrrolidine-2-carboxamide
SMILESCc1cc(NC(=O)[C@@H]2CCCN2C(=O)c2cccc(-c3ccccc3)c2)no1
InChIInChI=1S/C22H21N3O3/c1-15-13-20(24-28-15)23-21(26)19-11-6-12-25(19)22(27)18-10-5-9-17(14-18)16-7-3-2-4-8-16/h2-5,7-10,13-14,19H,6,11-12H2,1H3,(H,23,24,26)/t19-/m0/s1
InChIKeyCVLNQOBYZHZTNV-IBGZPJMESA-N
XLogP3.89
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-(5-methyl-1,2-oxazol-3-yl)-1-(4-phenylbenzoyl)pyrrolidine-2-carboxamide
CID 110284824
(2S)-N-(5-methyl-1,2-oxazol-3-yl)-1-[3-(2-oxopyrrolidin-1-yl)benzoyl]pyrrolidine-2-carboxamide
CID 110304934
(2R)-1-(3,5-dimethoxybenzoyl)-N-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-2-carboxamide
CID 124655888
1-acetyl-N-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-2-carboxamide
CID 74170916
1-(2-methoxybenzoyl)-N-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-2-carboxamide
CID 74170933
1-(cyclopropanecarbonyl)-N-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-2-carboxamide
CID 74170919
(2S)-N-(5-methyl-1,2-oxazol-3-yl)-1-(5-phenylpentanoyl)pyrrolidine-2-carboxamide
CID 110304954
(2S)-1-[3-(2-fluorophenyl)-2-methylpropanoyl]-N-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-2-carboxamide
CID 110304965
(2S)-1-(2,4-dichlorobenzoyl)-N-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-2-carboxamide
CID 110284831
1-(cyclohexanecarbonyl)-N-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-2-carboxamide
CID 74170922
(2S)-1-[2-(dimethylamino)pyridine-3-carbonyl]-N-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-2-carboxamide
CID 110304968
1-(2-cyclopropylpropanoyl)-N-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-2-carboxamide
CID 110624691

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(5-methyl-1,2-oxazol-3-yl)-1-(3-phenylbenzoyl)pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-(5-methyl-1,2-oxazol-3-yl)-1-(3-phenylbenzoyl)pyrrolidine-2-carboxamide (CID 110284825) is (2S)-N-(5-methyl-1,2-oxazol-3-yl)-1-(3-phenylbenzoyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-(5-methyl-1,2-oxazol-3-yl)-1-(3-phenylbenzoyl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-(5-methyl-1,2-oxazol-3-yl)-1-(3-phenylbenzoyl)pyrrolidine-2-carboxamide is Cc1cc(NC(=O)[C@@H]2CCCN2C(=O)c2cccc(-c3ccccc3)c2)no1.
What is the InChIKey of (2S)-N-(5-methyl-1,2-oxazol-3-yl)-1-(3-phenylbenzoyl)pyrrolidine-2-carboxamide?
The InChIKey is CVLNQOBYZHZTNV-IBGZPJMESA-N. The full InChI is InChI=1S/C22H21N3O3/c1-15-13-20(24-28-15)23-21(26)19-11-6-12-25(19)22(27)18-10-5-9-17(14-18)16-7-3-2-4-8-16/h2-5,7-10,13-14,19H,6,11-12H2,1H3,(H,23,24,26)/t19-/m0/s1.
What are the key properties of (2S)-N-(5-methyl-1,2-oxazol-3-yl)-1-(3-phenylbenzoyl)pyrrolidine-2-carboxamide?
(2S)-N-(5-methyl-1,2-oxazol-3-yl)-1-(3-phenylbenzoyl)pyrrolidine-2-carboxamide has a molecular weight of 375.43 g/mol, XLogP of 3.89, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(5-methyl-1,2-oxazol-3-yl)-1-(3-phenylbenzoyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 110284825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).