N-benzyl-1,2-oxazole-5-carboxamide

C11H10N2O2 — CID 91004792

IUPACN-benzyl-1,2-oxazole-5-carboxamide
SMILESO=C(NCc1ccccc1)c1ccno1
InChIInChI=1S/C11H10N2O2/c14-11(10-6-7-13-15-10)12-8-9-4-2-1-3-5-9/h1-7H,8H2,(H,12,14)
InChIKeyDXWZXERUKHTNGF-UHFFFAOYSA-N
MW202.21 g/mol
LogP1.60
Rot. Bonds3

About N-benzyl-1,2-oxazole-5-carboxamide

N-benzyl-1,2-oxazole-5-carboxamide (PubChem CID 91004792) has the molecular formula C11H10N2O2 and a molecular weight of 202.21 g/mol. Its IUPAC name is N-benzyl-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-benzyl-1,2-oxazole-5-carboxamide
PubChem CID91004792
Molecular FormulaC11H10N2O2
Molecular Weight202.21 g/mol
Exact Mass202.07
IUPAC NameN-benzyl-1,2-oxazole-5-carboxamide
SMILESO=C(NCc1ccccc1)c1ccno1
InChIInChI=1S/C11H10N2O2/c14-11(10-6-7-13-15-10)12-8-9-4-2-1-3-5-9/h1-7H,8H2,(H,12,14)
InChIKeyDXWZXERUKHTNGF-UHFFFAOYSA-N
XLogP1.60
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.21
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-((4-(4-methylpiperazin-1-yl)phenyl)methyl)-1,2-oxazole-5-carboxamide
CID 2738575
N-(2-methylphenyl)-1,2-oxazole-5-carboxamide
CID 7996638
N-ethyl-N-[2-[(4-fluorophenyl)methylcarbamoyl]-3-hydroxy-4-oxo-pyrido[1,2-a]pyrimidin-9-yl]isoxazole-5-carboxamide
CID 54730641
N-[(2S)-3-cyclohexyl-1-[[(2S,3S)-3-methyl-1-oxo-1-(4-phenylpiperidin-1-yl)pentan-2-yl]amino]-1-oxopropan-2-yl]-1,2-oxazole-5-carboxamide
CID 56640042
5-Isoxazoyl-Cha-Ile-(4-[aminomethyl]phenyl)-(4-[aminomethyl]-piperidin-1-yl)methanone
CID 49788381
trans-N-(4-((R)-1-amino-2-(2,5-difluorophenyl)ethyl)cyclohexyl)-N-methylisoxazole-5-carboxamide
CID 53324153
N-[(2S)-1-[(2-carbamoylphenyl)methylamino]-3-cyclohexyl-1-oxopropan-2-yl]-1,2-oxazole-5-carboxamide
CID 156016097
N-[(2S)-1-[[2-(2-amino-2-oxoethyl)phenyl]methylamino]-3-cyclohexyl-1-oxopropan-2-yl]-1,2-oxazole-5-carboxamide
CID 156018869
benzyl N,N'-bis(1,2-oxazole-5-carbonyl)carbamimidoselenoate
CID 51033232
N-[3-[[4-(cyclohexylcarbamoyl)piperidin-1-yl]methyl]phenyl]-1,2-oxazole-5-carboxamide
CID 129626030
Isoxazole-5-carboxylic acid (cyclopentylcarbamoyl-phenyl-methyl)-phenyl-amide
CID 3210624
N-[(2S)-1-(3-carbamoylanilino)-3-cyclohexyl-1-oxopropan-2-yl]-1,2-oxazole-5-carboxamide
CID 156009830

Frequently Asked Questions

What is the IUPAC name of N-benzyl-1,2-oxazole-5-carboxamide?
The IUPAC name of N-benzyl-1,2-oxazole-5-carboxamide (CID 91004792) is N-benzyl-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-benzyl-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-benzyl-1,2-oxazole-5-carboxamide is O=C(NCc1ccccc1)c1ccno1.
What is the InChIKey of N-benzyl-1,2-oxazole-5-carboxamide?
The InChIKey is DXWZXERUKHTNGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O2/c14-11(10-6-7-13-15-10)12-8-9-4-2-1-3-5-9/h1-7H,8H2,(H,12,14).
What are the key properties of N-benzyl-1,2-oxazole-5-carboxamide?
N-benzyl-1,2-oxazole-5-carboxamide has a molecular weight of 202.21 g/mol, XLogP of 1.60, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 91004792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).