N-benzyl-1,2-oxazole-3-carboxamide;oxazepine

C16H15N3O3 — CID 162147126

IUPACN-benzyl-1,2-oxazole-3-carboxamide;oxazepine
SMILESC1=CC=NOC=C1.O=C(NCc1ccccc1)c1ccon1
InChIInChI=1S/C11H10N2O2.C5H5NO/c14-11(10-6-7-15-13-10)12-8-9-4-2-1-3-5-9;1-2-4-6-7-5-3-1/h1-7H,8H2,(H,12,14);1-5H
InChIKeyZKRYKTGHXALECJ-UHFFFAOYSA-N
MW297.31 g/mol
LogP2.68
Rot. Bonds3

About N-benzyl-1,2-oxazole-3-carboxamide;oxazepine

N-benzyl-1,2-oxazole-3-carboxamide;oxazepine (PubChem CID 162147126) has the molecular formula C16H15N3O3 and a molecular weight of 297.31 g/mol. Its IUPAC name is N-benzyl-1,2-oxazole-3-carboxamide;oxazepine.

Molecular Properties

Compound NameN-benzyl-1,2-oxazole-3-carboxamide;oxazepine
PubChem CID162147126
Molecular FormulaC16H15N3O3
Molecular Weight297.31 g/mol
Exact Mass297.11
IUPAC NameN-benzyl-1,2-oxazole-3-carboxamide;oxazepine
SMILESC1=CC=NOC=C1.O=C(NCc1ccccc1)c1ccon1
InChIInChI=1S/C11H10N2O2.C5H5NO/c14-11(10-6-7-15-13-10)12-8-9-4-2-1-3-5-9;1-2-4-6-7-5-3-1/h1-7H,8H2,(H,12,14);1-5H
InChIKeyZKRYKTGHXALECJ-UHFFFAOYSA-N
XLogP2.68
TPSA76.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.31
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-phenoxyphenyl)methyl]-1,2-oxazole-3-carboxamide
CID 60618920
N-[[4-(2-aminoethyl)phenyl]methyl]-1,2-oxazole-3-carboxamide
CID 62502313
N-[(4-methoxyphenyl)methyl]-1,2-oxazole-3-carboxamide
CID 110693720
N-[(3-cyanophenyl)methyl]-1,2-oxazole-3-carboxamide
CID 55037800
N-[[4-(N'-hydroxycarbamimidoyl)phenyl]methyl]-1,2-oxazole-3-carboxamide
CID 76939190
N-[(2-methyl-4-pyridinyl)methyl]-1,2-oxazole-3-carboxamide
CID 144967801
N-(chloromethyl)-1,2-oxazole-3-carboxamide
CID 91516447
N-[2-(methylamino)ethyl]-1,2-oxazole-3-carboxamide
CID 62659468
N-(2,2-dimethylpropyl)-1,2-oxazole-3-carboxamide
CID 130679942
N-[(1-hydroxycyclobutyl)methyl]-1,2-oxazole-3-carboxamide
CID 115643434
N-[2-(2-fluorophenyl)ethyl]-1,2-oxazole-3-carboxamide
CID 110693729
N-benzyl-2H-triazole-4-carboxamide
CID 47334751

Frequently Asked Questions

What is the IUPAC name of N-benzyl-1,2-oxazole-3-carboxamide;oxazepine?
The IUPAC name of N-benzyl-1,2-oxazole-3-carboxamide;oxazepine (CID 162147126) is N-benzyl-1,2-oxazole-3-carboxamide;oxazepine.
What is the SMILES notation for N-benzyl-1,2-oxazole-3-carboxamide;oxazepine?
The canonical SMILES for N-benzyl-1,2-oxazole-3-carboxamide;oxazepine is C1=CC=NOC=C1.O=C(NCc1ccccc1)c1ccon1.
What is the InChIKey of N-benzyl-1,2-oxazole-3-carboxamide;oxazepine?
The InChIKey is ZKRYKTGHXALECJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O2.C5H5NO/c14-11(10-6-7-15-13-10)12-8-9-4-2-1-3-5-9;1-2-4-6-7-5-3-1/h1-7H,8H2,(H,12,14);1-5H.
What are the key properties of N-benzyl-1,2-oxazole-3-carboxamide;oxazepine?
N-benzyl-1,2-oxazole-3-carboxamide;oxazepine has a molecular weight of 297.31 g/mol, XLogP of 2.68, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1,2-oxazole-3-carboxamide;oxazepine is sourced from PubChem (CID 162147126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).