2-bromo-5-chloro-N-(3,4-dimethyl-1,2-oxazol-5-yl)benzamide

C12H10BrClN2O2 — CID 103722577

IUPAC2-bromo-5-chloro-N-(3,4-dimethyl-1,2-oxazol-5-yl)benzamide
SMILESCc1noc(NC(=O)c2cc(Cl)ccc2Br)c1C
InChIInChI=1S/C12H10BrClN2O2/c1-6-7(2)16-18-12(6)15-11(17)9-5-8(14)3-4-10(9)13/h3-5H,1-2H3,(H,15,17)
InChIKeyCYAFMRWFUHWVQB-UHFFFAOYSA-N
MW329.58 g/mol
LogP3.96
Rot. Bonds2

About 2-bromo-5-chloro-N-(3,4-dimethyl-1,2-oxazol-5-yl)benzamide

2-bromo-5-chloro-N-(3,4-dimethyl-1,2-oxazol-5-yl)benzamide (PubChem CID 103722577) has the molecular formula C12H10BrClN2O2 and a molecular weight of 329.58 g/mol. Its IUPAC name is 2-bromo-5-chloro-N-(3,4-dimethyl-1,2-oxazol-5-yl)benzamide.

Molecular Properties

Compound Name2-bromo-5-chloro-N-(3,4-dimethyl-1,2-oxazol-5-yl)benzamide
PubChem CID103722577
Molecular FormulaC12H10BrClN2O2
Molecular Weight329.58 g/mol
Exact Mass327.96
IUPAC Name2-bromo-5-chloro-N-(3,4-dimethyl-1,2-oxazol-5-yl)benzamide
SMILESCc1noc(NC(=O)c2cc(Cl)ccc2Br)c1C
InChIInChI=1S/C12H10BrClN2O2/c1-6-7(2)16-18-12(6)15-11(17)9-5-8(14)3-4-10(9)13/h3-5H,1-2H3,(H,15,17)
InChIKeyCYAFMRWFUHWVQB-UHFFFAOYSA-N
XLogP3.96
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.58
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-chloro-N-(3,4-dimethyl-1,2-oxazol-5-yl)benzamide?
The IUPAC name of 2-bromo-5-chloro-N-(3,4-dimethyl-1,2-oxazol-5-yl)benzamide (CID 103722577) is 2-bromo-5-chloro-N-(3,4-dimethyl-1,2-oxazol-5-yl)benzamide.
What is the SMILES notation for 2-bromo-5-chloro-N-(3,4-dimethyl-1,2-oxazol-5-yl)benzamide?
The canonical SMILES for 2-bromo-5-chloro-N-(3,4-dimethyl-1,2-oxazol-5-yl)benzamide is Cc1noc(NC(=O)c2cc(Cl)ccc2Br)c1C.
What is the InChIKey of 2-bromo-5-chloro-N-(3,4-dimethyl-1,2-oxazol-5-yl)benzamide?
The InChIKey is CYAFMRWFUHWVQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrClN2O2/c1-6-7(2)16-18-12(6)15-11(17)9-5-8(14)3-4-10(9)13/h3-5H,1-2H3,(H,15,17).
What are the key properties of 2-bromo-5-chloro-N-(3,4-dimethyl-1,2-oxazol-5-yl)benzamide?
2-bromo-5-chloro-N-(3,4-dimethyl-1,2-oxazol-5-yl)benzamide has a molecular weight of 329.58 g/mol, XLogP of 3.96, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-chloro-N-(3,4-dimethyl-1,2-oxazol-5-yl)benzamide is sourced from PubChem (CID 103722577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).