N-(4-bromo-2-fluorophenyl)-3-(5-bromothiophen-2-yl)-5-methyl-1,2-oxazole-4-carboxamide

C15H9Br2FN2O2S — CID 53052740

IUPACN-(4-bromo-2-fluorophenyl)-3-(5-bromothiophen-2-yl)-5-methyl-1,2-oxazole-4-carboxamide
SMILESCc1onc(-c2ccc(Br)s2)c1C(=O)Nc1ccc(Br)cc1F
InChIInChI=1S/C15H9Br2FN2O2S/c1-7-13(14(20-22-7)11-4-5-12(17)23-11)15(21)19-10-3-2-8(16)6-9(10)18/h2-6H,1H3,(H,19,21)
InChIKeyMJPJCETWWWMGKM-UHFFFAOYSA-N
MW460.12 g/mol
LogP5.63
Rot. Bonds3

About N-(4-bromo-2-fluorophenyl)-3-(5-bromothiophen-2-yl)-5-methyl-1,2-oxazole-4-carboxamide

N-(4-bromo-2-fluorophenyl)-3-(5-bromothiophen-2-yl)-5-methyl-1,2-oxazole-4-carboxamide (PubChem CID 53052740) has the molecular formula C15H9Br2FN2O2S and a molecular weight of 460.12 g/mol. Its IUPAC name is N-(4-bromo-2-fluorophenyl)-3-(5-bromothiophen-2-yl)-5-methyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-(4-bromo-2-fluorophenyl)-3-(5-bromothiophen-2-yl)-5-methyl-1,2-oxazole-4-carboxamide
PubChem CID53052740
Molecular FormulaC15H9Br2FN2O2S
Molecular Weight460.12 g/mol
Exact Mass457.87
IUPAC NameN-(4-bromo-2-fluorophenyl)-3-(5-bromothiophen-2-yl)-5-methyl-1,2-oxazole-4-carboxamide
SMILESCc1onc(-c2ccc(Br)s2)c1C(=O)Nc1ccc(Br)cc1F
InChIInChI=1S/C15H9Br2FN2O2S/c1-7-13(14(20-22-7)11-4-5-12(17)23-11)15(21)19-10-3-2-8(16)6-9(10)18/h2-6H,1H3,(H,19,21)
InChIKeyMJPJCETWWWMGKM-UHFFFAOYSA-N
XLogP5.63
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.12
LogP ≤ 55.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(4-bromo-2-fluorophenyl)-3-(5-bromothiophen-2-yl)-5-methyl-1,2-oxazole-4-carboxamide 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

N-(2-bromophenyl)-3-(5-bromothiophen-2-yl)-5-methyl-1,2-oxazole-4-carboxamide
CID 53052712
3-(4-bromophenyl)-N-(2,4-difluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 50805617
3-(5-bromothiophen-2-yl)-N-(2,6-dimethylphenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 53052728
3-(5-bromothiophen-2-yl)-N-[(2S)-butan-2-yl]-5-methyl-1,2-oxazole-4-carboxamide
CID 95063974
3-(5-bromothiophen-2-yl)-N-butan-2-yl-5-methyl-1,2-oxazole-4-carboxamide
CID 53052713
3-(2-chloro-6-fluorophenyl)-N-(2,4-difluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 9209306
3-(2,6-dichlorophenyl)-N-(2,4-difluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 1369580
N-(2-fluoro-4-methylphenyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 17414759
N-(4-bromo-2-fluorophenyl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide
CID 45495096
[(2R)-1-(4-bromo-2-fluoroanilino)-1-oxopropan-2-yl] 3,5-dimethyl-1,2-oxazole-4-carboxylate
CID 8954796
3-(2-chlorophenyl)-N-(2-fluoro-4-iodophenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 1259716
3-(5-bromothiophen-2-yl)-5-methyl-N-[[(2S)-oxolan-2-yl]methyl]-1,2-oxazole-4-carboxamide
CID 95063975

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-fluorophenyl)-3-(5-bromothiophen-2-yl)-5-methyl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-(4-bromo-2-fluorophenyl)-3-(5-bromothiophen-2-yl)-5-methyl-1,2-oxazole-4-carboxamide (CID 53052740) is N-(4-bromo-2-fluorophenyl)-3-(5-bromothiophen-2-yl)-5-methyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-(4-bromo-2-fluorophenyl)-3-(5-bromothiophen-2-yl)-5-methyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-(4-bromo-2-fluorophenyl)-3-(5-bromothiophen-2-yl)-5-methyl-1,2-oxazole-4-carboxamide is Cc1onc(-c2ccc(Br)s2)c1C(=O)Nc1ccc(Br)cc1F.
What is the InChIKey of N-(4-bromo-2-fluorophenyl)-3-(5-bromothiophen-2-yl)-5-methyl-1,2-oxazole-4-carboxamide?
The InChIKey is MJPJCETWWWMGKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9Br2FN2O2S/c1-7-13(14(20-22-7)11-4-5-12(17)23-11)15(21)19-10-3-2-8(16)6-9(10)18/h2-6H,1H3,(H,19,21).
What are the key properties of N-(4-bromo-2-fluorophenyl)-3-(5-bromothiophen-2-yl)-5-methyl-1,2-oxazole-4-carboxamide?
N-(4-bromo-2-fluorophenyl)-3-(5-bromothiophen-2-yl)-5-methyl-1,2-oxazole-4-carboxamide has a molecular weight of 460.12 g/mol, XLogP of 5.63, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-fluorophenyl)-3-(5-bromothiophen-2-yl)-5-methyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 53052740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).