N-(1,2-benzoxazol-3-yl)benzamide

C14H10N2O2 — CID 6623735

IUPACN-(1,2-benzoxazol-3-yl)benzamide
SMILESO=C(Nc1noc2ccccc12)c1ccccc1
InChIInChI=1S/C14H10N2O2/c17-14(10-6-2-1-3-7-10)15-13-11-8-4-5-9-12(11)18-16-13/h1-9H,(H,15,16,17)
InChIKeyKYYHTPBQELUSCS-UHFFFAOYSA-N
MW238.25 g/mol
LogP3.08
Rot. Bonds2

About N-(1,2-benzoxazol-3-yl)benzamide

N-(1,2-benzoxazol-3-yl)benzamide (PubChem CID 6623735) has the molecular formula C14H10N2O2 and a molecular weight of 238.25 g/mol. Its IUPAC name is N-(1,2-benzoxazol-3-yl)benzamide.

Molecular Properties

Compound NameN-(1,2-benzoxazol-3-yl)benzamide
PubChem CID6623735
Molecular FormulaC14H10N2O2
Molecular Weight238.25 g/mol
Exact Mass238.07
IUPAC NameN-(1,2-benzoxazol-3-yl)benzamide
SMILESO=C(Nc1noc2ccccc12)c1ccccc1
InChIInChI=1S/C14H10N2O2/c17-14(10-6-2-1-3-7-10)15-13-11-8-4-5-9-12(11)18-16-13/h1-9H,(H,15,16,17)
InChIKeyKYYHTPBQELUSCS-UHFFFAOYSA-N
XLogP3.08
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.25
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

n-[4-(3-Amino-1,2-benzisoxazol-4-yl)phenyl]urea
CID 11265647
N-((1-benzylpiperidin-4-yl)methyl)benzo[d]isoxazol-3-amine
CID 9996198
N-(2-(1-benzylpiperidin-4-yl)ethyl)benzo[d]isoxazol-3-amine
CID 10449628
1,2-Benzoxazol-3-amine
CID 2779749
N-(biphenyl-4-yl)benzo[d]isoxazol-3-amine
CID 45484855
N-(biphenyl-3-yl)benzo[d]isoxazol-3-amine
CID 45484883
N-(naphthalen-1-yl)benzo[d]isoxazol-3-amine
CID 45484885
N-(2-(4-(benzo[d]isoxazol-3-yl)piperazin-1-yl)ethyl)-4-fluorobenzamide
CID 49788939
N-(5-methyl-3-isoxazolyl)-2-phenoxybenzamide
CID 652253
Benzamide, N-(1,2-benzisoxazol-3-yl)-4-methoxy-
CID 8033444
N-(1,2-benzoxazol-3-yl)-2,6-difluorobenzamide
CID 8087352
3-Piperazin-1-yl-benzo[d]isoxazole hydrochloride
CID 13232476

Frequently Asked Questions

What is the IUPAC name of N-(1,2-benzoxazol-3-yl)benzamide?
The IUPAC name of N-(1,2-benzoxazol-3-yl)benzamide (CID 6623735) is N-(1,2-benzoxazol-3-yl)benzamide.
What is the SMILES notation for N-(1,2-benzoxazol-3-yl)benzamide?
The canonical SMILES for N-(1,2-benzoxazol-3-yl)benzamide is O=C(Nc1noc2ccccc12)c1ccccc1.
What is the InChIKey of N-(1,2-benzoxazol-3-yl)benzamide?
The InChIKey is KYYHTPBQELUSCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N2O2/c17-14(10-6-2-1-3-7-10)15-13-11-8-4-5-9-12(11)18-16-13/h1-9H,(H,15,16,17).
What are the key properties of N-(1,2-benzoxazol-3-yl)benzamide?
N-(1,2-benzoxazol-3-yl)benzamide has a molecular weight of 238.25 g/mol, XLogP of 3.08, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2-benzoxazol-3-yl)benzamide is sourced from PubChem (CID 6623735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).