N-(2-oxoazepan-3-yl)-3-phenyl-2,1-benzoxazole-5-carboxamide

C20H19N3O3 — CID 71891205

IUPACN-(2-oxoazepan-3-yl)-3-phenyl-2,1-benzoxazole-5-carboxamide
SMILESO=C(NC1CCCCNC1=O)c1ccc2noc(-c3ccccc3)c2c1
InChIInChI=1S/C20H19N3O3/c24-19(22-17-8-4-5-11-21-20(17)25)14-9-10-16-15(12-14)18(26-23-16)13-6-2-1-3-7-13/h1-3,6-7,9-10,12,17H,4-5,8,11H2,(H,21,25)(H,22,24)
InChIKeyBDZPNMNNWSKMQJ-UHFFFAOYSA-N
MW349.39 g/mol
LogP2.89
Rot. Bonds3

About N-(2-oxoazepan-3-yl)-3-phenyl-2,1-benzoxazole-5-carboxamide

N-(2-oxoazepan-3-yl)-3-phenyl-2,1-benzoxazole-5-carboxamide (PubChem CID 71891205) has the molecular formula C20H19N3O3 and a molecular weight of 349.39 g/mol. Its IUPAC name is N-(2-oxoazepan-3-yl)-3-phenyl-2,1-benzoxazole-5-carboxamide.

Molecular Properties

Compound NameN-(2-oxoazepan-3-yl)-3-phenyl-2,1-benzoxazole-5-carboxamide
PubChem CID71891205
Molecular FormulaC20H19N3O3
Molecular Weight349.39 g/mol
Exact Mass349.14
IUPAC NameN-(2-oxoazepan-3-yl)-3-phenyl-2,1-benzoxazole-5-carboxamide
SMILESO=C(NC1CCCCNC1=O)c1ccc2noc(-c3ccccc3)c2c1
InChIInChI=1S/C20H19N3O3/c24-19(22-17-8-4-5-11-21-20(17)25)14-9-10-16-15(12-14)18(26-23-16)13-6-2-1-3-7-13/h1-3,6-7,9-10,12,17H,4-5,8,11H2,(H,21,25)(H,22,24)
InChIKeyBDZPNMNNWSKMQJ-UHFFFAOYSA-N
XLogP2.89
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(2-oxoazepan-3-yl)-3-phenyl-2,1-benzoxazole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-cyclopropyl-3-phenyl-2,1-benzoxazole-5-carboxamide
CID 9210227
N-[(2S)-oxan-2-yl]oxy-3-phenyl-2,1-benzoxazole-5-carboxamide
CID 52536018
N-[(3S)-1-methylpiperidin-3-yl]-3-phenyl-2,1-benzoxazole-5-carboxamide
CID 95976740
3-phenyl-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]-2,1-benzoxazole-5-carboxamide
CID 55849250
N-[(3R)-2-oxoazepan-3-yl]-1H-indole-6-carboxamide
CID 6713907
[2-(cyclopentylamino)-2-oxoethyl] 3-phenyl-2,1-benzoxazole-5-carboxylate
CID 7503143
3-methoxy-N-(2-oxoazepan-3-yl)benzamide
CID 15069514
3-phenyl-N'-(pyridine-2-carbonyl)-2,1-benzoxazole-5-carbohydrazide
CID 9033671
4-[[(3S)-2-oxopiperidin-3-yl]carbamoyl]benzoic acid
CID 94349391
N-(4-acetamidophenyl)-3-phenyl-2,1-benzoxazole-5-carboxamide
CID 7465275
2-[[(3S)-2-oxoazepan-3-yl]carbamoyl]benzoic acid
CID 6930768
3-methyl-N-(2-oxoazepan-3-yl)-4-(2-oxoimidazolidin-1-yl)benzamide
CID 71937894

Frequently Asked Questions

What is the IUPAC name of N-(2-oxoazepan-3-yl)-3-phenyl-2,1-benzoxazole-5-carboxamide?
The IUPAC name of N-(2-oxoazepan-3-yl)-3-phenyl-2,1-benzoxazole-5-carboxamide (CID 71891205) is N-(2-oxoazepan-3-yl)-3-phenyl-2,1-benzoxazole-5-carboxamide.
What is the SMILES notation for N-(2-oxoazepan-3-yl)-3-phenyl-2,1-benzoxazole-5-carboxamide?
The canonical SMILES for N-(2-oxoazepan-3-yl)-3-phenyl-2,1-benzoxazole-5-carboxamide is O=C(NC1CCCCNC1=O)c1ccc2noc(-c3ccccc3)c2c1.
What is the InChIKey of N-(2-oxoazepan-3-yl)-3-phenyl-2,1-benzoxazole-5-carboxamide?
The InChIKey is BDZPNMNNWSKMQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O3/c24-19(22-17-8-4-5-11-21-20(17)25)14-9-10-16-15(12-14)18(26-23-16)13-6-2-1-3-7-13/h1-3,6-7,9-10,12,17H,4-5,8,11H2,(H,21,25)(H,22,24).
What are the key properties of N-(2-oxoazepan-3-yl)-3-phenyl-2,1-benzoxazole-5-carboxamide?
N-(2-oxoazepan-3-yl)-3-phenyl-2,1-benzoxazole-5-carboxamide has a molecular weight of 349.39 g/mol, XLogP of 2.89, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-oxoazepan-3-yl)-3-phenyl-2,1-benzoxazole-5-carboxamide is sourced from PubChem (CID 71891205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).