N-[4-(2-oxopyrrolidin-1-yl)phenyl]-3-phenyl-2,1-benzoxazole-5-carboxamide

C24H19N3O3 — CID 9268843

IUPACN-[4-(2-oxopyrrolidin-1-yl)phenyl]-3-phenyl-2,1-benzoxazole-5-carboxamide
SMILESO=C(Nc1ccc(N2CCCC2=O)cc1)c1ccc2noc(-c3ccccc3)c2c1
InChIInChI=1S/C24H19N3O3/c28-22-7-4-14-27(22)19-11-9-18(10-12-19)25-24(29)17-8-13-21-20(15-17)23(30-26-21)16-5-2-1-3-6-16/h1-3,5-6,8-13,15H,4,7,14H2,(H,25,29)
InChIKeyGABTVXTUKKMIQO-UHFFFAOYSA-N
MW397.43 g/mol
LogP4.87
Rot. Bonds4

About N-[4-(2-oxopyrrolidin-1-yl)phenyl]-3-phenyl-2,1-benzoxazole-5-carboxamide

N-[4-(2-oxopyrrolidin-1-yl)phenyl]-3-phenyl-2,1-benzoxazole-5-carboxamide (PubChem CID 9268843) has the molecular formula C24H19N3O3 and a molecular weight of 397.43 g/mol. Its IUPAC name is N-[4-(2-oxopyrrolidin-1-yl)phenyl]-3-phenyl-2,1-benzoxazole-5-carboxamide.

Molecular Properties

Compound NameN-[4-(2-oxopyrrolidin-1-yl)phenyl]-3-phenyl-2,1-benzoxazole-5-carboxamide
PubChem CID9268843
Molecular FormulaC24H19N3O3
Molecular Weight397.43 g/mol
Exact Mass397.14
IUPAC NameN-[4-(2-oxopyrrolidin-1-yl)phenyl]-3-phenyl-2,1-benzoxazole-5-carboxamide
SMILESO=C(Nc1ccc(N2CCCC2=O)cc1)c1ccc2noc(-c3ccccc3)c2c1
InChIInChI=1S/C24H19N3O3/c28-22-7-4-14-27(22)19-11-9-18(10-12-19)25-24(29)17-8-13-21-20(15-17)23(30-26-21)16-5-2-1-3-6-16/h1-3,5-6,8-13,15H,4,7,14H2,(H,25,29)
InChIKeyGABTVXTUKKMIQO-UHFFFAOYSA-N
XLogP4.87
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.43
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-acetamidophenyl)-3-phenyl-2,1-benzoxazole-5-carboxamide
CID 7465275
N-[[2-(2-oxopyrrolidin-1-yl)-4-pyridinyl]methyl]-3-phenyl-2,1-benzoxazole-5-carboxamide
CID 122246090
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-phenyl-2,1-benzoxazole-5-carboxamide
CID 9451735
N-(1,3-benzodioxol-5-yl)-3-phenyl-2,1-benzoxazole-5-carboxamide
CID 9191614
9-oxo-N-[4-(2-oxopyrrolidin-1-yl)phenyl]fluorene-2-carboxamide
CID 24618194
3-phenyl-N-[2-(piperidine-1-carbonyl)phenyl]-2,1-benzoxazole-5-carboxamide
CID 35277011
N-(1,3-dimethyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-5-yl)-3-phenyl-2,1-benzoxazole-5-carboxamide
CID 119101340
4-acetamido-N-[4-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 78788340
azetidin-1-yl-(3-phenyl-2,1-benzoxazol-5-yl)methanone
CID 17488305
4-(benzenesulfonamido)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 28578210
N-[2-(dimethylamino)pyrimidin-5-yl]-3-phenyl-2,1-benzoxazole-5-carboxamide
CID 122298037
N-(3-cyanophenyl)-3-phenyl-2,1-benzoxazole-5-carboxamide
CID 9192548

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-oxopyrrolidin-1-yl)phenyl]-3-phenyl-2,1-benzoxazole-5-carboxamide?
The IUPAC name of N-[4-(2-oxopyrrolidin-1-yl)phenyl]-3-phenyl-2,1-benzoxazole-5-carboxamide (CID 9268843) is N-[4-(2-oxopyrrolidin-1-yl)phenyl]-3-phenyl-2,1-benzoxazole-5-carboxamide.
What is the SMILES notation for N-[4-(2-oxopyrrolidin-1-yl)phenyl]-3-phenyl-2,1-benzoxazole-5-carboxamide?
The canonical SMILES for N-[4-(2-oxopyrrolidin-1-yl)phenyl]-3-phenyl-2,1-benzoxazole-5-carboxamide is O=C(Nc1ccc(N2CCCC2=O)cc1)c1ccc2noc(-c3ccccc3)c2c1.
What is the InChIKey of N-[4-(2-oxopyrrolidin-1-yl)phenyl]-3-phenyl-2,1-benzoxazole-5-carboxamide?
The InChIKey is GABTVXTUKKMIQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N3O3/c28-22-7-4-14-27(22)19-11-9-18(10-12-19)25-24(29)17-8-13-21-20(15-17)23(30-26-21)16-5-2-1-3-6-16/h1-3,5-6,8-13,15H,4,7,14H2,(H,25,29).
What are the key properties of N-[4-(2-oxopyrrolidin-1-yl)phenyl]-3-phenyl-2,1-benzoxazole-5-carboxamide?
N-[4-(2-oxopyrrolidin-1-yl)phenyl]-3-phenyl-2,1-benzoxazole-5-carboxamide has a molecular weight of 397.43 g/mol, XLogP of 4.87, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-oxopyrrolidin-1-yl)phenyl]-3-phenyl-2,1-benzoxazole-5-carboxamide is sourced from PubChem (CID 9268843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).