3-bromo-N-(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)-4-methoxybenzamide

C17H15BrN2O4 — CID 50796693

IUPAC3-bromo-N-(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)-4-methoxybenzamide
SMILESCCn1c(=O)oc2cc(NC(=O)c3ccc(OC)c(Br)c3)ccc21
InChIInChI=1S/C17H15BrN2O4/c1-3-20-13-6-5-11(9-15(13)24-17(20)22)19-16(21)10-4-7-14(23-2)12(18)8-10/h4-9H,3H2,1-2H3,(H,19,21)
InChIKeyNZJNPDUZRHVTRA-UHFFFAOYSA-N
MW391.22 g/mol
LogP3.64
Rot. Bonds4

About 3-bromo-N-(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)-4-methoxybenzamide

3-bromo-N-(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)-4-methoxybenzamide (PubChem CID 50796693) has the molecular formula C17H15BrN2O4 and a molecular weight of 391.22 g/mol. Its IUPAC name is 3-bromo-N-(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)-4-methoxybenzamide.

Molecular Properties

Compound Name3-bromo-N-(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)-4-methoxybenzamide
PubChem CID50796693
Molecular FormulaC17H15BrN2O4
Molecular Weight391.22 g/mol
Exact Mass390.02
IUPAC Name3-bromo-N-(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)-4-methoxybenzamide
SMILESCCn1c(=O)oc2cc(NC(=O)c3ccc(OC)c(Br)c3)ccc21
InChIInChI=1S/C17H15BrN2O4/c1-3-20-13-6-5-11(9-15(13)24-17(20)22)19-16(21)10-4-7-14(23-2)12(18)8-10/h4-9H,3H2,1-2H3,(H,19,21)
InChIKeyNZJNPDUZRHVTRA-UHFFFAOYSA-N
XLogP3.64
TPSA73.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.22
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-bromo-N-(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)benzamide
CID 50796749
1-(3,4-dimethoxyphenyl)-3-(2-oxo-3-propyl-1,3-benzoxazol-6-yl)urea
CID 50796889
3-bromo-N-(4-bromo-3-methylphenyl)-4-methoxybenzamide
CID 3493450
3-bromo-N-(3-bromo-4-fluorophenyl)-4-methoxybenzamide
CID 115661540
methyl 5-[(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)amino]-5-oxopentanoate
CID 50796907
N-(3,4-dimethoxyphenyl)-2-oxo-3-prop-2-enyl-1,3-benzoxazole-5-carboxamide
CID 53084910
N-(3-bromo-4-methoxyphenyl)-3-chloro-4-methoxybenzamide
CID 3529705
3-bromo-4-methoxy-N-[4-(propylcarbamoyl)phenyl]benzamide
CID 17218741
1-(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)-3-(4-ethylphenyl)urea
CID 50796887
1-(2-methoxy-5-methylphenyl)-3-(2-oxo-3-propyl-1,3-benzoxazol-6-yl)urea
CID 50797422
1-(3-acetylphenyl)-3-(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)urea
CID 50796856
3-bromo-N-[3-[(3-bromo-4-methoxybenzoyl)amino]-4-methylphenyl]-4-methoxybenzamide
CID 4941361

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)-4-methoxybenzamide?
The IUPAC name of 3-bromo-N-(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)-4-methoxybenzamide (CID 50796693) is 3-bromo-N-(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)-4-methoxybenzamide.
What is the SMILES notation for 3-bromo-N-(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)-4-methoxybenzamide?
The canonical SMILES for 3-bromo-N-(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)-4-methoxybenzamide is CCn1c(=O)oc2cc(NC(=O)c3ccc(OC)c(Br)c3)ccc21.
What is the InChIKey of 3-bromo-N-(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)-4-methoxybenzamide?
The InChIKey is NZJNPDUZRHVTRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BrN2O4/c1-3-20-13-6-5-11(9-15(13)24-17(20)22)19-16(21)10-4-7-14(23-2)12(18)8-10/h4-9H,3H2,1-2H3,(H,19,21).
What are the key properties of 3-bromo-N-(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)-4-methoxybenzamide?
3-bromo-N-(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)-4-methoxybenzamide has a molecular weight of 391.22 g/mol, XLogP of 3.64, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)-4-methoxybenzamide is sourced from PubChem (CID 50796693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).