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

C13H13BrN2O2 — CID 112760658

IUPACN-(4-bromophenyl)-5-ethyl-3-methyl-1,2-oxazole-4-carboxamide
SMILESCCc1onc(C)c1C(=O)Nc1ccc(Br)cc1
InChIInChI=1S/C13H13BrN2O2/c1-3-11-12(8(2)16-18-11)13(17)15-10-6-4-9(14)5-7-10/h4-7H,3H2,1-2H3,(H,15,17)
InChIKeyKWKBRHHCZAOMQB-UHFFFAOYSA-N
MW309.16 g/mol
LogP3.56
Rot. Bonds3

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

N-(4-bromophenyl)-5-ethyl-3-methyl-1,2-oxazole-4-carboxamide (PubChem CID 112760658) has the molecular formula C13H13BrN2O2 and a molecular weight of 309.16 g/mol. Its IUPAC name is N-(4-bromophenyl)-5-ethyl-3-methyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-5-ethyl-3-methyl-1,2-oxazole-4-carboxamide
PubChem CID112760658
Molecular FormulaC13H13BrN2O2
Molecular Weight309.16 g/mol
Exact Mass308.02
IUPAC NameN-(4-bromophenyl)-5-ethyl-3-methyl-1,2-oxazole-4-carboxamide
SMILESCCc1onc(C)c1C(=O)Nc1ccc(Br)cc1
InChIInChI=1S/C13H13BrN2O2/c1-3-11-12(8(2)16-18-11)13(17)15-10-6-4-9(14)5-7-10/h4-7H,3H2,1-2H3,(H,15,17)
InChIKeyKWKBRHHCZAOMQB-UHFFFAOYSA-N
XLogP3.56
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.16
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-tert-butylphenyl)-5-ethyl-3-methyl-1,2-oxazole-4-carboxamide
CID 2441877
N-(4-bromophenyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 770330
N-[4-(dimethylcarbamoyl)phenyl]-5-ethyl-3-methyl-1,2-oxazole-4-carboxamide
CID 112794910
5-ethyl-3-methyl-N-(4-phenoxyphenyl)-1,2-oxazole-4-carboxamide
CID 2571454
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-ethyl-3-methyl-1,2-oxazole-4-carboxamide
CID 112759204
N-[4-(4-bromophenyl)sulfanylphenyl]-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide
CID 18274326
N-[3-(4-bromoanilino)-3-oxopropyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 60552507
N-(4-bromophenyl)-2-(5-ethyl-3-methyl-1,2-oxazol-4-yl)pyrrolidine-1-carboxamide
CID 50808695
N-(4,5-dimethyl-1,3-thiazol-2-yl)-5-ethyl-3-methyl-1,2-oxazole-4-carboxamide
CID 112764952
N-benzyl-5-ethyl-3-methyl-1,2-oxazole-4-carboxamide
CID 112760258
N-(4-hydroxyphenyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 28780641
N-(4-ethylsulfonylphenyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 42021822

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-5-ethyl-3-methyl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-(4-bromophenyl)-5-ethyl-3-methyl-1,2-oxazole-4-carboxamide (CID 112760658) is N-(4-bromophenyl)-5-ethyl-3-methyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-(4-bromophenyl)-5-ethyl-3-methyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-(4-bromophenyl)-5-ethyl-3-methyl-1,2-oxazole-4-carboxamide is CCc1onc(C)c1C(=O)Nc1ccc(Br)cc1.
What is the InChIKey of N-(4-bromophenyl)-5-ethyl-3-methyl-1,2-oxazole-4-carboxamide?
The InChIKey is KWKBRHHCZAOMQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrN2O2/c1-3-11-12(8(2)16-18-11)13(17)15-10-6-4-9(14)5-7-10/h4-7H,3H2,1-2H3,(H,15,17).
What are the key properties of N-(4-bromophenyl)-5-ethyl-3-methyl-1,2-oxazole-4-carboxamide?
N-(4-bromophenyl)-5-ethyl-3-methyl-1,2-oxazole-4-carboxamide has a molecular weight of 309.16 g/mol, XLogP of 3.56, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-5-ethyl-3-methyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 112760658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).