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

C15H10Br2N2O2S — CID 53052712

IUPACN-(2-bromophenyl)-3-(5-bromothiophen-2-yl)-5-methyl-1,2-oxazole-4-carboxamide
SMILESCc1onc(-c2ccc(Br)s2)c1C(=O)Nc1ccccc1Br
InChIInChI=1S/C15H10Br2N2O2S/c1-8-13(14(19-21-8)11-6-7-12(17)22-11)15(20)18-10-5-3-2-4-9(10)16/h2-7H,1H3,(H,18,20)
InChIKeyVHBVGPVMLCTXOT-UHFFFAOYSA-N
MW442.13 g/mol
LogP5.49
Rot. Bonds3

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

N-(2-bromophenyl)-3-(5-bromothiophen-2-yl)-5-methyl-1,2-oxazole-4-carboxamide (PubChem CID 53052712) has the molecular formula C15H10Br2N2O2S and a molecular weight of 442.13 g/mol. Its IUPAC name is N-(2-bromophenyl)-3-(5-bromothiophen-2-yl)-5-methyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-bromophenyl)-3-(5-bromothiophen-2-yl)-5-methyl-1,2-oxazole-4-carboxamide
PubChem CID53052712
Molecular FormulaC15H10Br2N2O2S
Molecular Weight442.13 g/mol
Exact Mass439.88
IUPAC NameN-(2-bromophenyl)-3-(5-bromothiophen-2-yl)-5-methyl-1,2-oxazole-4-carboxamide
SMILESCc1onc(-c2ccc(Br)s2)c1C(=O)Nc1ccccc1Br
InChIInChI=1S/C15H10Br2N2O2S/c1-8-13(14(19-21-8)11-6-7-12(17)22-11)15(20)18-10-5-3-2-4-9(10)16/h2-7H,1H3,(H,18,20)
InChIKeyVHBVGPVMLCTXOT-UHFFFAOYSA-N
XLogP5.49
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.13
LogP ≤ 55.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(5-bromothiophen-2-yl)-N-(2,6-dimethylphenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 53052728
N-(4-bromo-2-fluorophenyl)-3-(5-bromothiophen-2-yl)-5-methyl-1,2-oxazole-4-carboxamide
CID 53052740
N-(2-bromophenyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 17174295
N-(2-bromophenyl)-3-(3-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 50805843
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-(5-bromothiophen-2-yl)-N-[(2-methoxyphenyl)methyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 53052765
3-(5-bromothiophen-2-yl)-5-methyl-N-[[(2S)-oxolan-2-yl]methyl]-1,2-oxazole-4-carboxamide
CID 95063975
N-(2-bromophenyl)-2,4,6-trimethylpyrimidine-5-carboxamide
CID 110862839
3-(2-chlorophenyl)-N-(2-hydroxyphenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 2996672
3-(3-chlorophenyl)-5-methyl-N-(2-methylphenyl)-1,2-oxazole-4-carboxamide
CID 50805635
5-methyl-3-phenyl-N-[2-(trifluoromethyl)phenyl]-1,2-oxazole-4-carboxamide
CID 1223086

Frequently Asked Questions

What is the IUPAC name of N-(2-bromophenyl)-3-(5-bromothiophen-2-yl)-5-methyl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-(2-bromophenyl)-3-(5-bromothiophen-2-yl)-5-methyl-1,2-oxazole-4-carboxamide (CID 53052712) is N-(2-bromophenyl)-3-(5-bromothiophen-2-yl)-5-methyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-(2-bromophenyl)-3-(5-bromothiophen-2-yl)-5-methyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-(2-bromophenyl)-3-(5-bromothiophen-2-yl)-5-methyl-1,2-oxazole-4-carboxamide is Cc1onc(-c2ccc(Br)s2)c1C(=O)Nc1ccccc1Br.
What is the InChIKey of N-(2-bromophenyl)-3-(5-bromothiophen-2-yl)-5-methyl-1,2-oxazole-4-carboxamide?
The InChIKey is VHBVGPVMLCTXOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Br2N2O2S/c1-8-13(14(19-21-8)11-6-7-12(17)22-11)15(20)18-10-5-3-2-4-9(10)16/h2-7H,1H3,(H,18,20).
What are the key properties of N-(2-bromophenyl)-3-(5-bromothiophen-2-yl)-5-methyl-1,2-oxazole-4-carboxamide?
N-(2-bromophenyl)-3-(5-bromothiophen-2-yl)-5-methyl-1,2-oxazole-4-carboxamide has a molecular weight of 442.13 g/mol, XLogP of 5.49, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromophenyl)-3-(5-bromothiophen-2-yl)-5-methyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 53052712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).