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

C12H11BrN2O2 — CID 770330

IUPACN-(4-bromophenyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide
SMILESCc1noc(C)c1C(=O)Nc1ccc(Br)cc1
InChIInChI=1S/C12H11BrN2O2/c1-7-11(8(2)17-15-7)12(16)14-10-5-3-9(13)4-6-10/h3-6H,1-2H3,(H,14,16)
InChIKeyQLHIWCQTEPAPJJ-UHFFFAOYSA-N
MW295.14 g/mol
LogP3.31
Rot. Bonds2

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

N-(4-bromophenyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide (PubChem CID 770330) has the molecular formula C12H11BrN2O2 and a molecular weight of 295.14 g/mol. Its IUPAC name is N-(4-bromophenyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide
PubChem CID770330
Molecular FormulaC12H11BrN2O2
Molecular Weight295.14 g/mol
Exact Mass294.00
IUPAC NameN-(4-bromophenyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide
SMILESCc1noc(C)c1C(=O)Nc1ccc(Br)cc1
InChIInChI=1S/C12H11BrN2O2/c1-7-11(8(2)17-15-7)12(16)14-10-5-3-9(13)4-6-10/h3-6H,1-2H3,(H,14,16)
InChIKeyQLHIWCQTEPAPJJ-UHFFFAOYSA-N
XLogP3.31
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.14
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(4-bromophenyl)-3,5-dimethyl-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-(4-hydroxyphenyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 28780641
N-[3-(4-bromoanilino)-3-oxopropyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 60552507
N-(4-bromophenyl)-5-ethyl-3-methyl-1,2-oxazole-4-carboxamide
CID 112760658
N-[4-(2-hydroxyethyl)phenyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 61222499
N-(4-ethylsulfonylphenyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 42021822
N-[4-(azepane-1-carbonylamino)phenyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 71881165
3,5-dimethyl-N-(4-piperidin-1-ylphenyl)-1,2-oxazole-4-carboxamide
CID 7999169
3-(4-bromophenyl)-N-(4-methoxyphenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 50805521
N-[4-(4-bromophenyl)sulfanylphenyl]-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide
CID 18274326
N-(2-bromophenyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 17174295
N-(3,4-dimethoxyphenyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 1245318
N-(4-bromophenyl)-2,4,5-trimethylfuran-3-carboxamide
CID 26719141

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-(4-bromophenyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide (CID 770330) is N-(4-bromophenyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-(4-bromophenyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-(4-bromophenyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide is Cc1noc(C)c1C(=O)Nc1ccc(Br)cc1.
What is the InChIKey of N-(4-bromophenyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide?
The InChIKey is QLHIWCQTEPAPJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrN2O2/c1-7-11(8(2)17-15-7)12(16)14-10-5-3-9(13)4-6-10/h3-6H,1-2H3,(H,14,16).
What are the key properties of N-(4-bromophenyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide?
N-(4-bromophenyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide has a molecular weight of 295.14 g/mol, XLogP of 3.31, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 770330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).