N-(1,2-oxazol-3-yl)-1,2-benzoxazole-3-carboxamide

C11H7N3O3 — CID 140532901

IUPACN-(1,2-oxazol-3-yl)-1,2-benzoxazole-3-carboxamide
SMILESO=C(Nc1ccon1)c1noc2ccccc12
InChIInChI=1S/C11H7N3O3/c15-11(12-9-5-6-16-13-9)10-7-3-1-2-4-8(7)17-14-10/h1-6H,(H,12,13,15)
InChIKeyWESVVQMEZSUQAB-UHFFFAOYSA-N
MW229.20 g/mol
LogP2.07
Rot. Bonds2

About N-(1,2-oxazol-3-yl)-1,2-benzoxazole-3-carboxamide

N-(1,2-oxazol-3-yl)-1,2-benzoxazole-3-carboxamide (PubChem CID 140532901) has the molecular formula C11H7N3O3 and a molecular weight of 229.20 g/mol. Its IUPAC name is N-(1,2-oxazol-3-yl)-1,2-benzoxazole-3-carboxamide.

Molecular Properties

Compound NameN-(1,2-oxazol-3-yl)-1,2-benzoxazole-3-carboxamide
PubChem CID140532901
Molecular FormulaC11H7N3O3
Molecular Weight229.20 g/mol
Exact Mass229.05
IUPAC NameN-(1,2-oxazol-3-yl)-1,2-benzoxazole-3-carboxamide
SMILESO=C(Nc1ccon1)c1noc2ccccc12
InChIInChI=1S/C11H7N3O3/c15-11(12-9-5-6-16-13-9)10-7-3-1-2-4-8(7)17-14-10/h1-6H,(H,12,13,15)
InChIKeyWESVVQMEZSUQAB-UHFFFAOYSA-N
XLogP2.07
TPSA81.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.20
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-1,2-benzoxazole-3-carboxamide
CID 10419698
N-(1,2-oxazol-3-yl)-1H-indazole-3-carboxamide
CID 64983195
2-(hydroxymethyl)-N-(1,2-oxazol-3-yl)benzamide
CID 163613647
3,5-dichloro-N-(1,2-oxazol-3-yl)benzamide
CID 17249127
4-amino-5-methyl-N-(1,2-oxazol-3-yl)-1H-pyrazole-3-carboxamide
CID 62902050
6-amino-N-(1,2-oxazol-3-yl)pyridine-2-carboxamide
CID 62904493
N-(1,2-oxazol-3-yl)-2-phenylquinoline-4-carboxamide
CID 899144
5-methyl-N-(1,2-oxazol-3-yl)-3-phenyl-1,2-oxazole-4-carboxamide
CID 1244977
(2E)-2-(1,2-benzoxazol-3-yl)-2-hydroxyiminoacetic acid
CID 135604901
N-(1,2-oxazol-3-yl)pyridine-3-carboxamide
CID 17217757
3-methyl-N-(1,2-oxazol-3-yl)benzamide
CID 17217691
2-(4-methylphenyl)-N-(1,2-oxazol-3-yl)quinoline-4-carboxamide
CID 17285283

Frequently Asked Questions

What is the IUPAC name of N-(1,2-oxazol-3-yl)-1,2-benzoxazole-3-carboxamide?
The IUPAC name of N-(1,2-oxazol-3-yl)-1,2-benzoxazole-3-carboxamide (CID 140532901) is N-(1,2-oxazol-3-yl)-1,2-benzoxazole-3-carboxamide.
What is the SMILES notation for N-(1,2-oxazol-3-yl)-1,2-benzoxazole-3-carboxamide?
The canonical SMILES for N-(1,2-oxazol-3-yl)-1,2-benzoxazole-3-carboxamide is O=C(Nc1ccon1)c1noc2ccccc12.
What is the InChIKey of N-(1,2-oxazol-3-yl)-1,2-benzoxazole-3-carboxamide?
The InChIKey is WESVVQMEZSUQAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7N3O3/c15-11(12-9-5-6-16-13-9)10-7-3-1-2-4-8(7)17-14-10/h1-6H,(H,12,13,15).
What are the key properties of N-(1,2-oxazol-3-yl)-1,2-benzoxazole-3-carboxamide?
N-(1,2-oxazol-3-yl)-1,2-benzoxazole-3-carboxamide has a molecular weight of 229.20 g/mol, XLogP of 2.07, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2-oxazol-3-yl)-1,2-benzoxazole-3-carboxamide is sourced from PubChem (CID 140532901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).