N-(2-bromophenyl)-2-(2-oxo-3H-1,3-benzoxazol-5-yl)acetamide

C15H11BrN2O3 — CID 110774064

IUPACN-(2-bromophenyl)-2-(2-oxo-3H-1,3-benzoxazol-5-yl)acetamide
SMILESO=C(Cc1ccc2oc(=O)[nH]c2c1)Nc1ccccc1Br
InChIInChI=1S/C15H11BrN2O3/c16-10-3-1-2-4-11(10)17-14(19)8-9-5-6-13-12(7-9)18-15(20)21-13/h1-7H,8H2,(H,17,19)(H,18,20)
InChIKeyXBWHVJCCHUSUJJ-UHFFFAOYSA-N
MW347.17 g/mol
LogP3.06
Rot. Bonds3

About N-(2-bromophenyl)-2-(2-oxo-3H-1,3-benzoxazol-5-yl)acetamide

N-(2-bromophenyl)-2-(2-oxo-3H-1,3-benzoxazol-5-yl)acetamide (PubChem CID 110774064) has the molecular formula C15H11BrN2O3 and a molecular weight of 347.17 g/mol. Its IUPAC name is N-(2-bromophenyl)-2-(2-oxo-3H-1,3-benzoxazol-5-yl)acetamide.

Molecular Properties

Compound NameN-(2-bromophenyl)-2-(2-oxo-3H-1,3-benzoxazol-5-yl)acetamide
PubChem CID110774064
Molecular FormulaC15H11BrN2O3
Molecular Weight347.17 g/mol
Exact Mass346.00
IUPAC NameN-(2-bromophenyl)-2-(2-oxo-3H-1,3-benzoxazol-5-yl)acetamide
SMILESO=C(Cc1ccc2oc(=O)[nH]c2c1)Nc1ccccc1Br
InChIInChI=1S/C15H11BrN2O3/c16-10-3-1-2-4-11(10)17-14(19)8-9-5-6-13-12(7-9)18-15(20)21-13/h1-7H,8H2,(H,17,19)(H,18,20)
InChIKeyXBWHVJCCHUSUJJ-UHFFFAOYSA-N
XLogP3.06
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 ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-chlorophenyl)-2-(2-oxo-3H-1,3-benzoxazol-5-yl)acetamide
CID 110774027
N-(3-methylphenyl)-2-(2-oxo-3H-1,3-benzoxazol-5-yl)acetamide
CID 110774011
N-benzyl-2-(2-oxo-3H-1,3-benzoxazol-5-yl)acetamide
CID 110773952
N-(2-methoxyphenyl)-3-(2-oxo-3H-1,3-benzoxazol-5-yl)propanamide
CID 110390488
1-(2-bromophenyl)-3-(2-oxo-3H-1,3-benzoxazol-6-yl)urea
CID 50796687
N-(2-bromophenyl)-2-(3-methyl-2-oxo-1H-quinolin-6-yl)acetamide
CID 110300601
N-methyl-2-(2-oxo-3H-1,3-benzoxazol-5-yl)-N-phenylacetamide
CID 110774013
2-(2-fluorophenyl)-N-[2-(2-oxo-3H-1,3-benzoxazol-5-yl)ethyl]acetamide
CID 110665351
N-[(2-chlorophenyl)methyl]-3-(2-oxo-3H-1,3-benzoxazol-5-yl)propanamide
CID 110390399
N-naphthalen-1-yl-2-oxo-3H-1,3-benzoxazole-5-carboxamide
CID 46862145
N-(2-carbamoylphenyl)-2-oxo-3H-1,3-benzoxazole-5-carboxamide
CID 110678693
N-benzyl-2-(2-oxo-3H-1,3-benzoxazol-5-yl)-N-propan-2-ylacetamide
CID 110774001

Frequently Asked Questions

What is the IUPAC name of N-(2-bromophenyl)-2-(2-oxo-3H-1,3-benzoxazol-5-yl)acetamide?
The IUPAC name of N-(2-bromophenyl)-2-(2-oxo-3H-1,3-benzoxazol-5-yl)acetamide (CID 110774064) is N-(2-bromophenyl)-2-(2-oxo-3H-1,3-benzoxazol-5-yl)acetamide.
What is the SMILES notation for N-(2-bromophenyl)-2-(2-oxo-3H-1,3-benzoxazol-5-yl)acetamide?
The canonical SMILES for N-(2-bromophenyl)-2-(2-oxo-3H-1,3-benzoxazol-5-yl)acetamide is O=C(Cc1ccc2oc(=O)[nH]c2c1)Nc1ccccc1Br.
What is the InChIKey of N-(2-bromophenyl)-2-(2-oxo-3H-1,3-benzoxazol-5-yl)acetamide?
The InChIKey is XBWHVJCCHUSUJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrN2O3/c16-10-3-1-2-4-11(10)17-14(19)8-9-5-6-13-12(7-9)18-15(20)21-13/h1-7H,8H2,(H,17,19)(H,18,20).
What are the key properties of N-(2-bromophenyl)-2-(2-oxo-3H-1,3-benzoxazol-5-yl)acetamide?
N-(2-bromophenyl)-2-(2-oxo-3H-1,3-benzoxazol-5-yl)acetamide has a molecular weight of 347.17 g/mol, XLogP of 3.06, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromophenyl)-2-(2-oxo-3H-1,3-benzoxazol-5-yl)acetamide is sourced from PubChem (CID 110774064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).