3-(6-bromo-1,3-benzoxazol-2-yl)benzamide

C14H9BrN2O2 — CID 23025706

IUPAC3-(6-bromo-1,3-benzoxazol-2-yl)benzamide
SMILESNC(=O)c1cccc(-c2nc3ccc(Br)cc3o2)c1
InChIInChI=1S/C14H9BrN2O2/c15-10-4-5-11-12(7-10)19-14(17-11)9-3-1-2-8(6-9)13(16)18/h1-7H,(H2,16,18)
InChIKeyDCOZXTYHDBVBQI-UHFFFAOYSA-N
MW317.14 g/mol
LogP3.36
Rot. Bonds2

About 3-(6-bromo-1,3-benzoxazol-2-yl)benzamide

3-(6-bromo-1,3-benzoxazol-2-yl)benzamide (PubChem CID 23025706) has the molecular formula C14H9BrN2O2 and a molecular weight of 317.14 g/mol. Its IUPAC name is 3-(6-bromo-1,3-benzoxazol-2-yl)benzamide.

Molecular Properties

Compound Name3-(6-bromo-1,3-benzoxazol-2-yl)benzamide
PubChem CID23025706
Molecular FormulaC14H9BrN2O2
Molecular Weight317.14 g/mol
Exact Mass315.98
IUPAC Name3-(6-bromo-1,3-benzoxazol-2-yl)benzamide
SMILESNC(=O)c1cccc(-c2nc3ccc(Br)cc3o2)c1
InChIInChI=1S/C14H9BrN2O2/c15-10-4-5-11-12(7-10)19-14(17-11)9-3-1-2-8(6-9)13(16)18/h1-7H,(H2,16,18)
InChIKeyDCOZXTYHDBVBQI-UHFFFAOYSA-N
XLogP3.36
TPSA69.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.14
LogP ≤ 53.36
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-(1,3-benzoxazol-2-yl)benzamide
CID 21105138
2-(3,5-dichlorophenyl)-1,3-benzoxazole-6-carboxamide
CID 167448203
3-(6-chloro-1,3-benzoxazol-2-yl)benzoic acid
CID 81434008
6-bromo-2-(3-ethoxyphenyl)-1,3-benzoxazole
CID 23025986
3-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide
CID 174723007
5-amino-2-(3-bromophenyl)-1,3-benzoxazole-7-carboxamide
CID 95911730
3-(1,3-benzoxazol-2-yl)benzoic acid;carbon dioxide
CID 158023892
6-[4-(4-bromophenyl)phenyl]-2-phenyl-1,3-benzoxazole
CID 170716750
6-bromo-2-[3-(cyclopropylmethoxy)phenyl]-1,3-benzoxazole
CID 23025812
methyl 2-(3-bromophenyl)-1,3-benzoxazole-5-carboxylate
CID 91682443
2-(3-bromophenyl)-6-(1,2,4-triazol-4-yl)-1,3-benzoxazole
CID 56772328

Frequently Asked Questions

What is the IUPAC name of 3-(6-bromo-1,3-benzoxazol-2-yl)benzamide?
The IUPAC name of 3-(6-bromo-1,3-benzoxazol-2-yl)benzamide (CID 23025706) is 3-(6-bromo-1,3-benzoxazol-2-yl)benzamide.
What is the SMILES notation for 3-(6-bromo-1,3-benzoxazol-2-yl)benzamide?
The canonical SMILES for 3-(6-bromo-1,3-benzoxazol-2-yl)benzamide is NC(=O)c1cccc(-c2nc3ccc(Br)cc3o2)c1.
What is the InChIKey of 3-(6-bromo-1,3-benzoxazol-2-yl)benzamide?
The InChIKey is DCOZXTYHDBVBQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrN2O2/c15-10-4-5-11-12(7-10)19-14(17-11)9-3-1-2-8(6-9)13(16)18/h1-7H,(H2,16,18).
What are the key properties of 3-(6-bromo-1,3-benzoxazol-2-yl)benzamide?
3-(6-bromo-1,3-benzoxazol-2-yl)benzamide has a molecular weight of 317.14 g/mol, XLogP of 3.36, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-bromo-1,3-benzoxazol-2-yl)benzamide is sourced from PubChem (CID 23025706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).