N-[(4-bromo-5-methyl-1,2-oxazol-3-yl)carbamoyl]-2-chloro-6-fluorobenzamide

C12H8BrClFN3O3 — CID 2799364

IUPACN-[(4-bromo-5-methyl-1,2-oxazol-3-yl)carbamoyl]-2-chloro-6-fluorobenzamide
SMILESCc1onc(NC(=O)NC(=O)c2c(F)cccc2Cl)c1Br
InChIInChI=1S/C12H8BrClFN3O3/c1-5-9(13)10(18-21-5)16-12(20)17-11(19)8-6(14)3-2-4-7(8)15/h2-4H,1H3,(H2,16,17,18,19,20)
InChIKeyAXAGOKRWVYVJKG-UHFFFAOYSA-N
MW376.57 g/mol
LogP3.50
Rot. Bonds2

About N-[(4-bromo-5-methyl-1,2-oxazol-3-yl)carbamoyl]-2-chloro-6-fluorobenzamide

N-[(4-bromo-5-methyl-1,2-oxazol-3-yl)carbamoyl]-2-chloro-6-fluorobenzamide (PubChem CID 2799364) has the molecular formula C12H8BrClFN3O3 and a molecular weight of 376.57 g/mol. Its IUPAC name is N-[(4-bromo-5-methyl-1,2-oxazol-3-yl)carbamoyl]-2-chloro-6-fluorobenzamide.

Molecular Properties

Compound NameN-[(4-bromo-5-methyl-1,2-oxazol-3-yl)carbamoyl]-2-chloro-6-fluorobenzamide
PubChem CID2799364
Molecular FormulaC12H8BrClFN3O3
Molecular Weight376.57 g/mol
Exact Mass374.94
IUPAC NameN-[(4-bromo-5-methyl-1,2-oxazol-3-yl)carbamoyl]-2-chloro-6-fluorobenzamide
SMILESCc1onc(NC(=O)NC(=O)c2c(F)cccc2Cl)c1Br
InChIInChI=1S/C12H8BrClFN3O3/c1-5-9(13)10(18-21-5)16-12(20)17-11(19)8-6(14)3-2-4-7(8)15/h2-4H,1H3,(H2,16,17,18,19,20)
InChIKeyAXAGOKRWVYVJKG-UHFFFAOYSA-N
XLogP3.50
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.57
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[(4-bromo-5-methyl-1,2-oxazol-3-yl)carbamoyl]-2-chloro-6-fluorobenzamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromo-5-methyl-1,2-oxazol-3-yl)carbamoyl]-2-chloro-6-fluorobenzamide?
The IUPAC name of N-[(4-bromo-5-methyl-1,2-oxazol-3-yl)carbamoyl]-2-chloro-6-fluorobenzamide (CID 2799364) is N-[(4-bromo-5-methyl-1,2-oxazol-3-yl)carbamoyl]-2-chloro-6-fluorobenzamide.
What is the SMILES notation for N-[(4-bromo-5-methyl-1,2-oxazol-3-yl)carbamoyl]-2-chloro-6-fluorobenzamide?
The canonical SMILES for N-[(4-bromo-5-methyl-1,2-oxazol-3-yl)carbamoyl]-2-chloro-6-fluorobenzamide is Cc1onc(NC(=O)NC(=O)c2c(F)cccc2Cl)c1Br.
What is the InChIKey of N-[(4-bromo-5-methyl-1,2-oxazol-3-yl)carbamoyl]-2-chloro-6-fluorobenzamide?
The InChIKey is AXAGOKRWVYVJKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrClFN3O3/c1-5-9(13)10(18-21-5)16-12(20)17-11(19)8-6(14)3-2-4-7(8)15/h2-4H,1H3,(H2,16,17,18,19,20).
What are the key properties of N-[(4-bromo-5-methyl-1,2-oxazol-3-yl)carbamoyl]-2-chloro-6-fluorobenzamide?
N-[(4-bromo-5-methyl-1,2-oxazol-3-yl)carbamoyl]-2-chloro-6-fluorobenzamide has a molecular weight of 376.57 g/mol, XLogP of 3.50, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromo-5-methyl-1,2-oxazol-3-yl)carbamoyl]-2-chloro-6-fluorobenzamide is sourced from PubChem (CID 2799364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).