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

C24H20N4O3 — CID 122246090

IUPACN-[[2-(2-oxopyrrolidin-1-yl)-4-pyridinyl]methyl]-3-phenyl-2,1-benzoxazole-5-carboxamide
SMILESO=C(NCc1ccnc(N2CCCC2=O)c1)c1ccc2noc(-c3ccccc3)c2c1
InChIInChI=1S/C24H20N4O3/c29-22-7-4-12-28(22)21-13-16(10-11-25-21)15-26-24(30)18-8-9-20-19(14-18)23(31-27-20)17-5-2-1-3-6-17/h1-3,5-6,8-11,13-14H,4,7,12,15H2,(H,26,30)
InChIKeyGZJZFZHJNAYNRS-UHFFFAOYSA-N
MW412.45 g/mol
LogP3.95
Rot. Bonds5

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

N-[[2-(2-oxopyrrolidin-1-yl)-4-pyridinyl]methyl]-3-phenyl-2,1-benzoxazole-5-carboxamide (PubChem CID 122246090) has the molecular formula C24H20N4O3 and a molecular weight of 412.45 g/mol. Its IUPAC name is N-[[2-(2-oxopyrrolidin-1-yl)-4-pyridinyl]methyl]-3-phenyl-2,1-benzoxazole-5-carboxamide.

Molecular Properties

Compound NameN-[[2-(2-oxopyrrolidin-1-yl)-4-pyridinyl]methyl]-3-phenyl-2,1-benzoxazole-5-carboxamide
PubChem CID122246090
Molecular FormulaC24H20N4O3
Molecular Weight412.45 g/mol
Exact Mass412.15
IUPAC NameN-[[2-(2-oxopyrrolidin-1-yl)-4-pyridinyl]methyl]-3-phenyl-2,1-benzoxazole-5-carboxamide
SMILESO=C(NCc1ccnc(N2CCCC2=O)c1)c1ccc2noc(-c3ccccc3)c2c1
InChIInChI=1S/C24H20N4O3/c29-22-7-4-12-28(22)21-13-16(10-11-25-21)15-26-24(30)18-8-9-20-19(14-18)23(31-27-20)17-5-2-1-3-6-17/h1-3,5-6,8-11,13-14H,4,7,12,15H2,(H,26,30)
InChIKeyGZJZFZHJNAYNRS-UHFFFAOYSA-N
XLogP3.95
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.45
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(2-oxopyrrolidin-1-yl)phenyl]-3-phenyl-2,1-benzoxazole-5-carboxamide
CID 9268843
3-methylsulfanyl-N-[[2-(2-oxopyrrolidin-1-yl)-4-pyridinyl]methyl]benzamide
CID 122246109
N-[[2-(2-oxopyrrolidin-1-yl)-4-pyridinyl]methyl]-3-(trifluoromethoxy)benzamide
CID 122246103
N-[[2-(2-oxopyrrolidin-1-yl)-4-pyridinyl]methyl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 122162248
2-methylsulfanyl-N-[[2-(2-oxopyrrolidin-1-yl)-4-pyridinyl]methyl]benzamide
CID 122246057
N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-3-phenyl-2,1-benzoxazole-5-carboxamide
CID 37424973
3-phenyl-N-[2-[(6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]-2,1-benzoxazole-5-carboxamide
CID 122327660
4-phenyl-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]benzamide
CID 55522332
benzyl N-[2-oxo-2-[[2-(2-oxopyrrolidin-1-yl)-4-pyridinyl]methylamino]ethyl]carbamate
CID 122246102
N-[(2-morpholin-4-ylsulfonylphenyl)methyl]-3-phenyl-2,1-benzoxazole-5-carboxamide
CID 24584059
3-(2-methylphenyl)-N-[[2-(2-oxopyrrolidin-1-yl)-4-pyridinyl]methyl]propanamide
CID 122246073
3-phenyl-N-prop-2-ynyl-2,1-benzoxazole-5-carboxamide
CID 18110112

Frequently Asked Questions

What is the IUPAC name of N-[[2-(2-oxopyrrolidin-1-yl)-4-pyridinyl]methyl]-3-phenyl-2,1-benzoxazole-5-carboxamide?
The IUPAC name of N-[[2-(2-oxopyrrolidin-1-yl)-4-pyridinyl]methyl]-3-phenyl-2,1-benzoxazole-5-carboxamide (CID 122246090) is N-[[2-(2-oxopyrrolidin-1-yl)-4-pyridinyl]methyl]-3-phenyl-2,1-benzoxazole-5-carboxamide.
What is the SMILES notation for N-[[2-(2-oxopyrrolidin-1-yl)-4-pyridinyl]methyl]-3-phenyl-2,1-benzoxazole-5-carboxamide?
The canonical SMILES for N-[[2-(2-oxopyrrolidin-1-yl)-4-pyridinyl]methyl]-3-phenyl-2,1-benzoxazole-5-carboxamide is O=C(NCc1ccnc(N2CCCC2=O)c1)c1ccc2noc(-c3ccccc3)c2c1.
What is the InChIKey of N-[[2-(2-oxopyrrolidin-1-yl)-4-pyridinyl]methyl]-3-phenyl-2,1-benzoxazole-5-carboxamide?
The InChIKey is GZJZFZHJNAYNRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N4O3/c29-22-7-4-12-28(22)21-13-16(10-11-25-21)15-26-24(30)18-8-9-20-19(14-18)23(31-27-20)17-5-2-1-3-6-17/h1-3,5-6,8-11,13-14H,4,7,12,15H2,(H,26,30).
What are the key properties of N-[[2-(2-oxopyrrolidin-1-yl)-4-pyridinyl]methyl]-3-phenyl-2,1-benzoxazole-5-carboxamide?
N-[[2-(2-oxopyrrolidin-1-yl)-4-pyridinyl]methyl]-3-phenyl-2,1-benzoxazole-5-carboxamide has a molecular weight of 412.45 g/mol, XLogP of 3.95, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2-oxopyrrolidin-1-yl)-4-pyridinyl]methyl]-3-phenyl-2,1-benzoxazole-5-carboxamide is sourced from PubChem (CID 122246090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).