2-(5-bromo-2-oxo-1,3-benzoxazol-3-yl)-N-methyl-N-phenylacetamide

C16H13BrN2O3 — CID 23153762

IUPAC2-(5-bromo-2-oxo-1,3-benzoxazol-3-yl)-N-methyl-N-phenylacetamide
SMILESCN(C(=O)Cn1c(=O)oc2ccc(Br)cc21)c1ccccc1
InChIInChI=1S/C16H13BrN2O3/c1-18(12-5-3-2-4-6-12)15(20)10-19-13-9-11(17)7-8-14(13)22-16(19)21/h2-9H,10H2,1H3
InChIKeyMFGRJRNLZPYFGT-UHFFFAOYSA-N
MW361.20 g/mol
LogP3.02
Rot. Bonds3

About 2-(5-bromo-2-oxo-1,3-benzoxazol-3-yl)-N-methyl-N-phenylacetamide

2-(5-bromo-2-oxo-1,3-benzoxazol-3-yl)-N-methyl-N-phenylacetamide (PubChem CID 23153762) has the molecular formula C16H13BrN2O3 and a molecular weight of 361.20 g/mol. Its IUPAC name is 2-(5-bromo-2-oxo-1,3-benzoxazol-3-yl)-N-methyl-N-phenylacetamide.

Molecular Properties

Compound Name2-(5-bromo-2-oxo-1,3-benzoxazol-3-yl)-N-methyl-N-phenylacetamide
PubChem CID23153762
Molecular FormulaC16H13BrN2O3
Molecular Weight361.20 g/mol
Exact Mass360.01
IUPAC Name2-(5-bromo-2-oxo-1,3-benzoxazol-3-yl)-N-methyl-N-phenylacetamide
SMILESCN(C(=O)Cn1c(=O)oc2ccc(Br)cc21)c1ccccc1
InChIInChI=1S/C16H13BrN2O3/c1-18(12-5-3-2-4-6-12)15(20)10-19-13-9-11(17)7-8-14(13)22-16(19)21/h2-9H,10H2,1H3
InChIKeyMFGRJRNLZPYFGT-UHFFFAOYSA-N
XLogP3.02
TPSA55.45 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.20
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-oxo-1,3-benzoxazol-3-yl)-N-methyl-N-phenylacetamide?
The IUPAC name of 2-(5-bromo-2-oxo-1,3-benzoxazol-3-yl)-N-methyl-N-phenylacetamide (CID 23153762) is 2-(5-bromo-2-oxo-1,3-benzoxazol-3-yl)-N-methyl-N-phenylacetamide.
What is the SMILES notation for 2-(5-bromo-2-oxo-1,3-benzoxazol-3-yl)-N-methyl-N-phenylacetamide?
The canonical SMILES for 2-(5-bromo-2-oxo-1,3-benzoxazol-3-yl)-N-methyl-N-phenylacetamide is CN(C(=O)Cn1c(=O)oc2ccc(Br)cc21)c1ccccc1.
What is the InChIKey of 2-(5-bromo-2-oxo-1,3-benzoxazol-3-yl)-N-methyl-N-phenylacetamide?
The InChIKey is MFGRJRNLZPYFGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrN2O3/c1-18(12-5-3-2-4-6-12)15(20)10-19-13-9-11(17)7-8-14(13)22-16(19)21/h2-9H,10H2,1H3.
What are the key properties of 2-(5-bromo-2-oxo-1,3-benzoxazol-3-yl)-N-methyl-N-phenylacetamide?
2-(5-bromo-2-oxo-1,3-benzoxazol-3-yl)-N-methyl-N-phenylacetamide has a molecular weight of 361.20 g/mol, XLogP of 3.02, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2-oxo-1,3-benzoxazol-3-yl)-N-methyl-N-phenylacetamide is sourced from PubChem (CID 23153762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).