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

C14H10N2O2 — CID 21105138

IUPAC3-(1,3-benzoxazol-2-yl)benzamide
SMILESNC(=O)c1cccc(-c2nc3ccccc3o2)c1
InChIInChI=1S/C14H10N2O2/c15-13(17)9-4-3-5-10(8-9)14-16-11-6-1-2-7-12(11)18-14/h1-8H,(H2,15,17)
InChIKeyPJHMKFSGKGBSFS-UHFFFAOYSA-N
MW238.25 g/mol
LogP2.59
Rot. Bonds2

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

3-(1,3-benzoxazol-2-yl)benzamide (PubChem CID 21105138) has the molecular formula C14H10N2O2 and a molecular weight of 238.25 g/mol. Its IUPAC name is 3-(1,3-benzoxazol-2-yl)benzamide.

Molecular Properties

Compound Name3-(1,3-benzoxazol-2-yl)benzamide
PubChem CID21105138
Molecular FormulaC14H10N2O2
Molecular Weight238.25 g/mol
Exact Mass238.07
IUPAC Name3-(1,3-benzoxazol-2-yl)benzamide
SMILESNC(=O)c1cccc(-c2nc3ccccc3o2)c1
InChIInChI=1S/C14H10N2O2/c15-13(17)9-4-3-5-10(8-9)14-16-11-6-1-2-7-12(11)18-14/h1-8H,(H2,15,17)
InChIKeyPJHMKFSGKGBSFS-UHFFFAOYSA-N
XLogP2.59
TPSA69.12 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 ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(6-amino-1,3-benzoxazol-2-yl)benzamide
CID 95911825
3-(6-bromo-1,3-benzoxazol-2-yl)benzamide
CID 23025706
3-(1,3-benzoxazol-2-yl)benzoic acid;carbon dioxide
CID 158023892
2-[3-(1,3-benzoxazol-2-yl)phenyl]-1,3-benzoxazole
CID 762888
3-aminobenzoic acid;3-(1,3-benzoxazol-2-yl)aniline
CID 142801816
3-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide
CID 174723007
carbonyl difluoride;2-phenyl-1,3-benzoxazole
CID 158063385
N-[3-(1,3-benzoxazol-2-yl)phenyl]-3-methylsulfanylbenzamide
CID 7565162
2-(3,5-dichlorophenyl)-1,3-benzoxazole-6-carboxamide
CID 167448203
2-[3-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,3-benzoxazole
CID 170681660
N-[3-(1,3-benzoxazol-2-yl)phenyl]-3-methylsulfonylbenzamide
CID 7565654
3-(6-chloro-1,3-benzoxazol-2-yl)benzoic acid
CID 81434008

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-benzoxazol-2-yl)benzamide?
The IUPAC name of 3-(1,3-benzoxazol-2-yl)benzamide (CID 21105138) is 3-(1,3-benzoxazol-2-yl)benzamide.
What is the SMILES notation for 3-(1,3-benzoxazol-2-yl)benzamide?
The canonical SMILES for 3-(1,3-benzoxazol-2-yl)benzamide is NC(=O)c1cccc(-c2nc3ccccc3o2)c1.
What is the InChIKey of 3-(1,3-benzoxazol-2-yl)benzamide?
The InChIKey is PJHMKFSGKGBSFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N2O2/c15-13(17)9-4-3-5-10(8-9)14-16-11-6-1-2-7-12(11)18-14/h1-8H,(H2,15,17).
What are the key properties of 3-(1,3-benzoxazol-2-yl)benzamide?
3-(1,3-benzoxazol-2-yl)benzamide has a molecular weight of 238.25 g/mol, XLogP of 2.59, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-benzoxazol-2-yl)benzamide is sourced from PubChem (CID 21105138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).