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

C15H11BrN2O3 — CID 110786482

IUPAC4-bromo-N-[(2-oxo-3H-1,3-benzoxazol-6-yl)methyl]benzamide
SMILESO=C(NCc1ccc2[nH]c(=O)oc2c1)c1ccc(Br)cc1
InChIInChI=1S/C15H11BrN2O3/c16-11-4-2-10(3-5-11)14(19)17-8-9-1-6-12-13(7-9)21-15(20)18-12/h1-7H,8H2,(H,17,19)(H,18,20)
InChIKeyVWLGEMADKWBFFM-UHFFFAOYSA-N
MW347.17 g/mol
LogP2.81
Rot. Bonds3

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

4-bromo-N-[(2-oxo-3H-1,3-benzoxazol-6-yl)methyl]benzamide (PubChem CID 110786482) has the molecular formula C15H11BrN2O3 and a molecular weight of 347.17 g/mol. Its IUPAC name is 4-bromo-N-[(2-oxo-3H-1,3-benzoxazol-6-yl)methyl]benzamide.

Molecular Properties

Compound Name4-bromo-N-[(2-oxo-3H-1,3-benzoxazol-6-yl)methyl]benzamide
PubChem CID110786482
Molecular FormulaC15H11BrN2O3
Molecular Weight347.17 g/mol
Exact Mass346.00
IUPAC Name4-bromo-N-[(2-oxo-3H-1,3-benzoxazol-6-yl)methyl]benzamide
SMILESO=C(NCc1ccc2[nH]c(=O)oc2c1)c1ccc(Br)cc1
InChIInChI=1S/C15H11BrN2O3/c16-11-4-2-10(3-5-11)14(19)17-8-9-1-6-12-13(7-9)21-15(20)18-12/h1-7H,8H2,(H,17,19)(H,18,20)
InChIKeyVWLGEMADKWBFFM-UHFFFAOYSA-N
XLogP2.81
TPSA75.10 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.17
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(dimethylamino)-N-[(2-oxo-3H-1,3-benzoxazol-6-yl)methyl]benzamide
CID 110794915
4-bromo-N-(2-oxo-3H-1,3-benzoxazol-6-yl)benzamide
CID 50797084
1-methyl-3-[(2-oxo-3H-1,3-benzoxazol-6-yl)methyl]urea
CID 115169173
N-[(2-oxo-3H-1,3-benzoxazol-6-yl)methyl]butanamide
CID 110786460
methyl 3-oxo-3-[(2-oxo-3H-1,3-benzoxazol-6-yl)methylamino]propanoate
CID 115174350
4-bromo-N-[(4-bromophenyl)methyl]benzamide
CID 17384434
N-[(2-benzyl-1H-indol-5-yl)methyl]-2-oxo-3H-1,3-benzoxazole-6-carboxamide
CID 76853916
3-methyl-N-[(2-oxo-3H-1,3-benzoxazol-6-yl)methyl]butanamide
CID 110786464
3,4-dichloro-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]benzamide
CID 110786732
2-(ethylamino)-N-[(2-oxo-3H-1,3-benzoxazol-6-yl)methyl]acetamide
CID 115157922
N-[2-oxo-2-[2-(2-oxo-3H-1,3-benzoxazol-6-yl)ethylamino]ethyl]benzamide
CID 110796279
3-methyl-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]benzamide
CID 110786718

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[(2-oxo-3H-1,3-benzoxazol-6-yl)methyl]benzamide?
The IUPAC name of 4-bromo-N-[(2-oxo-3H-1,3-benzoxazol-6-yl)methyl]benzamide (CID 110786482) is 4-bromo-N-[(2-oxo-3H-1,3-benzoxazol-6-yl)methyl]benzamide.
What is the SMILES notation for 4-bromo-N-[(2-oxo-3H-1,3-benzoxazol-6-yl)methyl]benzamide?
The canonical SMILES for 4-bromo-N-[(2-oxo-3H-1,3-benzoxazol-6-yl)methyl]benzamide is O=C(NCc1ccc2[nH]c(=O)oc2c1)c1ccc(Br)cc1.
What is the InChIKey of 4-bromo-N-[(2-oxo-3H-1,3-benzoxazol-6-yl)methyl]benzamide?
The InChIKey is VWLGEMADKWBFFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrN2O3/c16-11-4-2-10(3-5-11)14(19)17-8-9-1-6-12-13(7-9)21-15(20)18-12/h1-7H,8H2,(H,17,19)(H,18,20).
What are the key properties of 4-bromo-N-[(2-oxo-3H-1,3-benzoxazol-6-yl)methyl]benzamide?
4-bromo-N-[(2-oxo-3H-1,3-benzoxazol-6-yl)methyl]benzamide has a molecular weight of 347.17 g/mol, XLogP of 2.81, 3 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)methyl]benzamide is sourced from PubChem (CID 110786482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).