2-benzyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,3-benzoxazole-5-carboxamide

C22H23N3O3 — CID 42122386

IUPAC2-benzyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,3-benzoxazole-5-carboxamide
SMILESO=C(NCCCN1CCCC1=O)c1ccc2oc(Cc3ccccc3)nc2c1
InChIInChI=1S/C22H23N3O3/c26-21-8-4-12-25(21)13-5-11-23-22(27)17-9-10-19-18(15-17)24-20(28-19)14-16-6-2-1-3-7-16/h1-3,6-7,9-10,15H,4-5,8,11-14H2,(H,23,27)
InChIKeyCAGARFUMAFZKAL-UHFFFAOYSA-N
MW377.44 g/mol
LogP3.16
Rot. Bonds7

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

2-benzyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,3-benzoxazole-5-carboxamide (PubChem CID 42122386) has the molecular formula C22H23N3O3 and a molecular weight of 377.44 g/mol. Its IUPAC name is 2-benzyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,3-benzoxazole-5-carboxamide.

Molecular Properties

Compound Name2-benzyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,3-benzoxazole-5-carboxamide
PubChem CID42122386
Molecular FormulaC22H23N3O3
Molecular Weight377.44 g/mol
Exact Mass377.17
IUPAC Name2-benzyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,3-benzoxazole-5-carboxamide
SMILESO=C(NCCCN1CCCC1=O)c1ccc2oc(Cc3ccccc3)nc2c1
InChIInChI=1S/C22H23N3O3/c26-21-8-4-12-25(21)13-5-11-23-22(27)17-9-10-19-18(15-17)24-20(28-19)14-16-6-2-1-3-7-16/h1-3,6-7,9-10,15H,4-5,8,11-14H2,(H,23,27)
InChIKeyCAGARFUMAFZKAL-UHFFFAOYSA-N
XLogP3.16
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[(4-methoxyphenyl)methyl]-N-[2-(2-oxopyrrolidin-1-yl)ethyl]-1,3-benzoxazole-6-carboxamide
CID 25478646
N-[2-(azepan-1-yl)ethyl]-2-benzyl-1,3-benzoxazole-6-carboxamide
CID 53089357
N-[3-(2-oxopyrrolidin-1-yl)propyl]-4-phenylbenzamide
CID 4787941
N-[3-(3-hydroxypiperidin-1-yl)propyl]-2-(3-phenylpropyl)-1,3-benzoxazole-5-carboxamide
CID 45229950
N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,2,3-benzothiadiazole-5-carboxamide
CID 6620451
2-[(1-benzylpiperidin-4-yl)amino]-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,3-benzothiazole-6-carboxamide
CID 117083071
2,3-bis(4-fluorophenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]quinoxaline-6-carboxamide
CID 22588028
6-methoxy-N-[3-(2-oxopyrrolidin-1-yl)propyl]naphthalene-2-carboxamide
CID 24949519
5-benzyl-4-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide
CID 42876383
3,4-dichloro-N-[3-(2-oxoazepan-1-yl)propyl]benzamide
CID 78802534
3-chloro-4-iodo-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide
CID 103734648
2-benzyl-N-[3-[benzyl(methyl)amino]propyl]-1,3-benzoxazole-6-carboxamide
CID 53089354

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,3-benzoxazole-5-carboxamide?
The IUPAC name of 2-benzyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,3-benzoxazole-5-carboxamide (CID 42122386) is 2-benzyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,3-benzoxazole-5-carboxamide.
What is the SMILES notation for 2-benzyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,3-benzoxazole-5-carboxamide?
The canonical SMILES for 2-benzyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,3-benzoxazole-5-carboxamide is O=C(NCCCN1CCCC1=O)c1ccc2oc(Cc3ccccc3)nc2c1.
What is the InChIKey of 2-benzyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,3-benzoxazole-5-carboxamide?
The InChIKey is CAGARFUMAFZKAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O3/c26-21-8-4-12-25(21)13-5-11-23-22(27)17-9-10-19-18(15-17)24-20(28-19)14-16-6-2-1-3-7-16/h1-3,6-7,9-10,15H,4-5,8,11-14H2,(H,23,27).
What are the key properties of 2-benzyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,3-benzoxazole-5-carboxamide?
2-benzyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,3-benzoxazole-5-carboxamide has a molecular weight of 377.44 g/mol, XLogP of 3.16, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,3-benzoxazole-5-carboxamide is sourced from PubChem (CID 42122386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).