(2S)-N-(5-methyl-1,2-oxazol-3-yl)-1-(4-phenylbenzoyl)pyrrolidine-2-carboxamide

C22H21N3O3 — CID 110284824

IUPAC(2S)-N-(5-methyl-1,2-oxazol-3-yl)-1-(4-phenylbenzoyl)pyrrolidine-2-carboxamide
SMILESCc1cc(NC(=O)[C@@H]2CCCN2C(=O)c2ccc(-c3ccccc3)cc2)no1
InChIInChI=1S/C22H21N3O3/c1-15-14-20(24-28-15)23-21(26)19-8-5-13-25(19)22(27)18-11-9-17(10-12-18)16-6-3-2-4-7-16/h2-4,6-7,9-12,14,19H,5,8,13H2,1H3,(H,23,24,26)/t19-/m0/s1
InChIKeyNBVPHDZHWVHDES-IBGZPJMESA-N
MW375.43 g/mol
LogP3.89
Rot. Bonds4

About (2S)-N-(5-methyl-1,2-oxazol-3-yl)-1-(4-phenylbenzoyl)pyrrolidine-2-carboxamide

(2S)-N-(5-methyl-1,2-oxazol-3-yl)-1-(4-phenylbenzoyl)pyrrolidine-2-carboxamide (PubChem CID 110284824) 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-(4-phenylbenzoyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-(5-methyl-1,2-oxazol-3-yl)-1-(4-phenylbenzoyl)pyrrolidine-2-carboxamide
PubChem CID110284824
Molecular FormulaC22H21N3O3
Molecular Weight375.43 g/mol
Exact Mass375.16
IUPAC Name(2S)-N-(5-methyl-1,2-oxazol-3-yl)-1-(4-phenylbenzoyl)pyrrolidine-2-carboxamide
SMILESCc1cc(NC(=O)[C@@H]2CCCN2C(=O)c2ccc(-c3ccccc3)cc2)no1
InChIInChI=1S/C22H21N3O3/c1-15-14-20(24-28-15)23-21(26)19-8-5-13-25(19)22(27)18-11-9-17(10-12-18)16-6-3-2-4-7-16/h2-4,6-7,9-12,14,19H,5,8,13H2,1H3,(H,23,24,26)/t19-/m0/s1
InChIKeyNBVPHDZHWVHDES-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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Frequently Asked Questions

What is the IUPAC name of (2S)-N-(5-methyl-1,2-oxazol-3-yl)-1-(4-phenylbenzoyl)pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-(5-methyl-1,2-oxazol-3-yl)-1-(4-phenylbenzoyl)pyrrolidine-2-carboxamide (CID 110284824) is (2S)-N-(5-methyl-1,2-oxazol-3-yl)-1-(4-phenylbenzoyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-(5-methyl-1,2-oxazol-3-yl)-1-(4-phenylbenzoyl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-(5-methyl-1,2-oxazol-3-yl)-1-(4-phenylbenzoyl)pyrrolidine-2-carboxamide is Cc1cc(NC(=O)[C@@H]2CCCN2C(=O)c2ccc(-c3ccccc3)cc2)no1.
What is the InChIKey of (2S)-N-(5-methyl-1,2-oxazol-3-yl)-1-(4-phenylbenzoyl)pyrrolidine-2-carboxamide?
The InChIKey is NBVPHDZHWVHDES-IBGZPJMESA-N. The full InChI is InChI=1S/C22H21N3O3/c1-15-14-20(24-28-15)23-21(26)19-8-5-13-25(19)22(27)18-11-9-17(10-12-18)16-6-3-2-4-7-16/h2-4,6-7,9-12,14,19H,5,8,13H2,1H3,(H,23,24,26)/t19-/m0/s1.
What are the key properties of (2S)-N-(5-methyl-1,2-oxazol-3-yl)-1-(4-phenylbenzoyl)pyrrolidine-2-carboxamide?
(2S)-N-(5-methyl-1,2-oxazol-3-yl)-1-(4-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-(4-phenylbenzoyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 110284824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).