4-bromo-N-(2-oxo-3H-1,3-benzoxazol-6-yl)benzamide

C14H9BrN2O3 — CID 50797084

IUPAC4-bromo-N-(2-oxo-3H-1,3-benzoxazol-6-yl)benzamide
SMILESO=C(Nc1ccc2[nH]c(=O)oc2c1)c1ccc(Br)cc1
InChIInChI=1S/C14H9BrN2O3/c15-9-3-1-8(2-4-9)13(18)16-10-5-6-11-12(7-10)20-14(19)17-11/h1-7H,(H,16,18)(H,17,19)
InChIKeyWSJCRFNMXYLAOU-UHFFFAOYSA-N
MW333.14 g/mol
LogP3.14
Rot. Bonds2

About 4-bromo-N-(2-oxo-3H-1,3-benzoxazol-6-yl)benzamide

4-bromo-N-(2-oxo-3H-1,3-benzoxazol-6-yl)benzamide (PubChem CID 50797084) has the molecular formula C14H9BrN2O3 and a molecular weight of 333.14 g/mol. Its IUPAC name is 4-bromo-N-(2-oxo-3H-1,3-benzoxazol-6-yl)benzamide.

Molecular Properties

Compound Name4-bromo-N-(2-oxo-3H-1,3-benzoxazol-6-yl)benzamide
PubChem CID50797084
Molecular FormulaC14H9BrN2O3
Molecular Weight333.14 g/mol
Exact Mass331.98
IUPAC Name4-bromo-N-(2-oxo-3H-1,3-benzoxazol-6-yl)benzamide
SMILESO=C(Nc1ccc2[nH]c(=O)oc2c1)c1ccc(Br)cc1
InChIInChI=1S/C14H9BrN2O3/c15-9-3-1-8(2-4-9)13(18)16-10-5-6-11-12(7-10)20-14(19)17-11/h1-7H,(H,16,18)(H,17,19)
InChIKeyWSJCRFNMXYLAOU-UHFFFAOYSA-N
XLogP3.14
TPSA75.10 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.14
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-oxo-3H-1,3-benzoxazol-6-yl)-1H-indole-5-carboxamide
CID 112523027
4-bromo-N-[(2-oxo-3H-1,3-benzoxazol-6-yl)methyl]benzamide
CID 110786482
N-(2-oxo-3H-1,3-benzoxazol-6-yl)-3H-benzimidazole-5-carboxamide
CID 110662054
N-(2-oxo-3H-1,3-benzoxazol-6-yl)-4-(2-oxopyrrolidin-1-yl)benzamide
CID 110616378
3-bromo-4-chloro-N-(2-oxo-3H-1,3-benzoxazol-5-yl)benzamide
CID 110607962
4-benzamido-N-(2-oxo-3H-1,3-benzoxazol-5-yl)benzamide
CID 38468547
N-(4-methoxyphenyl)-2-oxo-3H-1,3-benzoxazole-6-carboxamide
CID 110766402
4-tert-butyl-N-(2-oxo-3H-1,3-benzoxazol-5-yl)benzamide
CID 38466226
2-oxo-N-(2-oxo-3H-1,3-benzoxazol-6-yl)propanamide
CID 115175381
2-hydroxy-N-(2-oxo-3H-1,3-benzoxazol-6-yl)acetamide
CID 83820376
N-(2-oxo-3H-1,3-benzoxazol-6-yl)-2-sulfanylacetamide
CID 115166967
4-[(3S,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-N-(2-oxo-3H-1,3-benzoxazol-6-yl)benzamide
CID 146173492

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(2-oxo-3H-1,3-benzoxazol-6-yl)benzamide?
The IUPAC name of 4-bromo-N-(2-oxo-3H-1,3-benzoxazol-6-yl)benzamide (CID 50797084) is 4-bromo-N-(2-oxo-3H-1,3-benzoxazol-6-yl)benzamide.
What is the SMILES notation for 4-bromo-N-(2-oxo-3H-1,3-benzoxazol-6-yl)benzamide?
The canonical SMILES for 4-bromo-N-(2-oxo-3H-1,3-benzoxazol-6-yl)benzamide is O=C(Nc1ccc2[nH]c(=O)oc2c1)c1ccc(Br)cc1.
What is the InChIKey of 4-bromo-N-(2-oxo-3H-1,3-benzoxazol-6-yl)benzamide?
The InChIKey is WSJCRFNMXYLAOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrN2O3/c15-9-3-1-8(2-4-9)13(18)16-10-5-6-11-12(7-10)20-14(19)17-11/h1-7H,(H,16,18)(H,17,19).
What are the key properties of 4-bromo-N-(2-oxo-3H-1,3-benzoxazol-6-yl)benzamide?
4-bromo-N-(2-oxo-3H-1,3-benzoxazol-6-yl)benzamide has a molecular weight of 333.14 g/mol, XLogP of 3.14, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(2-oxo-3H-1,3-benzoxazol-6-yl)benzamide is sourced from PubChem (CID 50797084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).