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

C16H13BrN2O4 — CID 110607972

IUPAC5-bromo-2-methoxy-N-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)benzamide
SMILESCOc1ccc(Br)cc1C(=O)Nc1ccc2oc(=O)n(C)c2c1
InChIInChI=1S/C16H13BrN2O4/c1-19-12-8-10(4-6-14(12)23-16(19)21)18-15(20)11-7-9(17)3-5-13(11)22-2/h3-8H,1-2H3,(H,18,20)
InChIKeySOHZBWUENQIMTO-UHFFFAOYSA-N
MW377.19 g/mol
LogP3.15
Rot. Bonds3

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

5-bromo-2-methoxy-N-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)benzamide (PubChem CID 110607972) has the molecular formula C16H13BrN2O4 and a molecular weight of 377.19 g/mol. Its IUPAC name is 5-bromo-2-methoxy-N-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)benzamide.

Molecular Properties

Compound Name5-bromo-2-methoxy-N-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)benzamide
PubChem CID110607972
Molecular FormulaC16H13BrN2O4
Molecular Weight377.19 g/mol
Exact Mass376.01
IUPAC Name5-bromo-2-methoxy-N-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)benzamide
SMILESCOc1ccc(Br)cc1C(=O)Nc1ccc2oc(=O)n(C)c2c1
InChIInChI=1S/C16H13BrN2O4/c1-19-12-8-10(4-6-14(12)23-16(19)21)18-15(20)11-7-9(17)3-5-13(11)22-2/h3-8H,1-2H3,(H,18,20)
InChIKeySOHZBWUENQIMTO-UHFFFAOYSA-N
XLogP3.15
TPSA73.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.19
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-bromo-2-methoxy-N-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-bromo-N-[4-[4-[(5-bromo-2-methoxybenzoyl)amino]phenoxy]phenyl]-2-methoxybenzamide
CID 17296371
5-[(5-bromo-2-methoxybenzoyl)amino]-2-methylbenzoic acid
CID 17296186
5-bromo-N-(1,3-dioxoisoindol-5-yl)-2-methoxybenzamide
CID 9325662
2-(3,4-dimethoxyphenyl)-3-methyl-N-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)butanamide
CID 110411045
5-bromo-2-methoxy-N-[4-(2-methylpropanoylamino)phenyl]benzamide
CID 1299225
5-bromo-2-methoxy-N-[2-(4-methylphenyl)-1,3-benzoxazol-5-yl]benzamide
CID 1341227
5-bromo-2-methoxy-N-(4-methoxy-3-nitrophenyl)benzamide
CID 2994913
2,5-dibromo-N-(3,4-dimethoxyphenyl)benzamide
CID 990540
5-bromo-N-[2-(3-bromophenyl)-1,3-benzoxazol-5-yl]-2-methoxybenzamide
CID 23989159
5-bromo-2-methoxy-N-[(2-oxochromen-6-yl)carbamothioyl]benzamide
CID 3974750
2-[(2-fluorobenzoyl)amino]-3-methyl-N-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)benzamide
CID 86881850
5-bromo-N-(3,5-dichloro-4-hydroxyphenyl)-2-methoxybenzamide
CID 9320508

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-methoxy-N-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)benzamide?
The IUPAC name of 5-bromo-2-methoxy-N-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)benzamide (CID 110607972) is 5-bromo-2-methoxy-N-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)benzamide.
What is the SMILES notation for 5-bromo-2-methoxy-N-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)benzamide?
The canonical SMILES for 5-bromo-2-methoxy-N-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)benzamide is COc1ccc(Br)cc1C(=O)Nc1ccc2oc(=O)n(C)c2c1.
What is the InChIKey of 5-bromo-2-methoxy-N-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)benzamide?
The InChIKey is SOHZBWUENQIMTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrN2O4/c1-19-12-8-10(4-6-14(12)23-16(19)21)18-15(20)11-7-9(17)3-5-13(11)22-2/h3-8H,1-2H3,(H,18,20).
What are the key properties of 5-bromo-2-methoxy-N-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)benzamide?
5-bromo-2-methoxy-N-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)benzamide has a molecular weight of 377.19 g/mol, XLogP of 3.15, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-methoxy-N-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)benzamide is sourced from PubChem (CID 110607972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).