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

C17H12BrClN2O2 — CID 50805843

IUPACN-(2-bromophenyl)-3-(3-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
SMILESCc1onc(-c2cccc(Cl)c2)c1C(=O)Nc1ccccc1Br
InChIInChI=1S/C17H12BrClN2O2/c1-10-15(17(22)20-14-8-3-2-7-13(14)18)16(21-23-10)11-5-4-6-12(19)9-11/h2-9H,1H3,(H,20,22)
InChIKeyJXGZBAJHDZKGHM-UHFFFAOYSA-N
MW391.65 g/mol
LogP5.32
Rot. Bonds3

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

N-(2-bromophenyl)-3-(3-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide (PubChem CID 50805843) has the molecular formula C17H12BrClN2O2 and a molecular weight of 391.65 g/mol. Its IUPAC name is N-(2-bromophenyl)-3-(3-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-bromophenyl)-3-(3-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
PubChem CID50805843
Molecular FormulaC17H12BrClN2O2
Molecular Weight391.65 g/mol
Exact Mass389.98
IUPAC NameN-(2-bromophenyl)-3-(3-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
SMILESCc1onc(-c2cccc(Cl)c2)c1C(=O)Nc1ccccc1Br
InChIInChI=1S/C17H12BrClN2O2/c1-10-15(17(22)20-14-8-3-2-7-13(14)18)16(21-23-10)11-5-4-6-12(19)9-11/h2-9H,1H3,(H,20,22)
InChIKeyJXGZBAJHDZKGHM-UHFFFAOYSA-N
XLogP5.32
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.65
LogP ≤ 55.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-chlorophenyl)-5-methyl-N-(2-methylphenyl)-1,2-oxazole-4-carboxamide
CID 50805635
3-(3-chlorophenyl)-N-(2-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 50805541
N-(3-chlorophenyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 873609
N-(2-bromophenyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 17174295
N-(5-chloro-2-methylphenyl)-3-(3-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 50805488
N-(2-bromophenyl)-3-(5-bromothiophen-2-yl)-5-methyl-1,2-oxazole-4-carboxamide
CID 53052712
N-(3-chloro-2-fluorophenyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 26897303
3-(3-chlorophenyl)-N-[2-(dimethylamino)ethyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 50805509
N-(2-bromo-4-chlorophenyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 81024357
N-(3-chlorophenyl)-5-methyl-3-pyridin-3-yl-1,2-oxazole-4-carboxamide
CID 53001782
5-methyl-3-phenyl-N-[2-(trifluoromethyl)phenyl]-1,2-oxazole-4-carboxamide
CID 1223086
N-(2-chlorophenyl)-5-methyl-3-pyridin-3-yl-1,2-oxazole-4-carboxamide
CID 53001781

Frequently Asked Questions

What is the IUPAC name of N-(2-bromophenyl)-3-(3-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-(2-bromophenyl)-3-(3-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide (CID 50805843) is N-(2-bromophenyl)-3-(3-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-(2-bromophenyl)-3-(3-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-(2-bromophenyl)-3-(3-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide is Cc1onc(-c2cccc(Cl)c2)c1C(=O)Nc1ccccc1Br.
What is the InChIKey of N-(2-bromophenyl)-3-(3-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide?
The InChIKey is JXGZBAJHDZKGHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12BrClN2O2/c1-10-15(17(22)20-14-8-3-2-7-13(14)18)16(21-23-10)11-5-4-6-12(19)9-11/h2-9H,1H3,(H,20,22).
What are the key properties of N-(2-bromophenyl)-3-(3-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide?
N-(2-bromophenyl)-3-(3-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide has a molecular weight of 391.65 g/mol, XLogP of 5.32, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromophenyl)-3-(3-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 50805843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).