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

C19H17BrN2O3 — CID 50805638

IUPAC3-(3-bromophenyl)-N-(4-ethoxyphenyl)-5-methyl-1,2-oxazole-4-carboxamide
SMILESCCOc1ccc(NC(=O)c2c(-c3cccc(Br)c3)noc2C)cc1
InChIInChI=1S/C19H17BrN2O3/c1-3-24-16-9-7-15(8-10-16)21-19(23)17-12(2)25-22-18(17)13-5-4-6-14(20)11-13/h4-11H,3H2,1-2H3,(H,21,23)
InChIKeyQSFFKZZBJJNXIO-UHFFFAOYSA-N
MW401.26 g/mol
LogP5.06
Rot. Bonds5

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

3-(3-bromophenyl)-N-(4-ethoxyphenyl)-5-methyl-1,2-oxazole-4-carboxamide (PubChem CID 50805638) has the molecular formula C19H17BrN2O3 and a molecular weight of 401.26 g/mol. Its IUPAC name is 3-(3-bromophenyl)-N-(4-ethoxyphenyl)-5-methyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name3-(3-bromophenyl)-N-(4-ethoxyphenyl)-5-methyl-1,2-oxazole-4-carboxamide
PubChem CID50805638
Molecular FormulaC19H17BrN2O3
Molecular Weight401.26 g/mol
Exact Mass400.04
IUPAC Name3-(3-bromophenyl)-N-(4-ethoxyphenyl)-5-methyl-1,2-oxazole-4-carboxamide
SMILESCCOc1ccc(NC(=O)c2c(-c3cccc(Br)c3)noc2C)cc1
InChIInChI=1S/C19H17BrN2O3/c1-3-24-16-9-7-15(8-10-16)21-19(23)17-12(2)25-22-18(17)13-5-4-6-14(20)11-13/h4-11H,3H2,1-2H3,(H,21,23)
InChIKeyQSFFKZZBJJNXIO-UHFFFAOYSA-N
XLogP5.06
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.26
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3-bromophenyl)-N-(3,4-dimethoxyphenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 50805848
3-(3-bromophenyl)-N-(3-chloro-4-methylphenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 50805699
5-methyl-3-phenyl-N-(4-propoxyphenyl)-1,2-oxazole-4-carboxamide
CID 2198505
methyl 3-(3-bromophenyl)-5-methyl-1,2-oxazole-4-carboxylate
CID 82135015
3-(4-bromophenyl)-N-(4-methoxyphenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 50805521
3-bromo-N-[4-(4-ethoxyphenoxy)phenyl]benzamide
CID 7925302
3-(3-bromophenyl)-N-cyclopropyl-5-methyl-1,2-oxazole-4-carboxamide
CID 50805790
N-(4-acetylphenyl)-3-(3-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 50805851
N-(4-bromo-3-methylphenyl)-3-(3-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 50805432
3-(3-bromophenyl)-N-[(2-methoxyphenyl)methyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 50805427
1-N-(4-ethoxyphenyl)-3-N-(5-methyl-1,2-oxazol-3-yl)benzene-1,3-dicarboxamide
CID 109057672
N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 26421741

Frequently Asked Questions

What is the IUPAC name of 3-(3-bromophenyl)-N-(4-ethoxyphenyl)-5-methyl-1,2-oxazole-4-carboxamide?
The IUPAC name of 3-(3-bromophenyl)-N-(4-ethoxyphenyl)-5-methyl-1,2-oxazole-4-carboxamide (CID 50805638) is 3-(3-bromophenyl)-N-(4-ethoxyphenyl)-5-methyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 3-(3-bromophenyl)-N-(4-ethoxyphenyl)-5-methyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for 3-(3-bromophenyl)-N-(4-ethoxyphenyl)-5-methyl-1,2-oxazole-4-carboxamide is CCOc1ccc(NC(=O)c2c(-c3cccc(Br)c3)noc2C)cc1.
What is the InChIKey of 3-(3-bromophenyl)-N-(4-ethoxyphenyl)-5-methyl-1,2-oxazole-4-carboxamide?
The InChIKey is QSFFKZZBJJNXIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17BrN2O3/c1-3-24-16-9-7-15(8-10-16)21-19(23)17-12(2)25-22-18(17)13-5-4-6-14(20)11-13/h4-11H,3H2,1-2H3,(H,21,23).
What are the key properties of 3-(3-bromophenyl)-N-(4-ethoxyphenyl)-5-methyl-1,2-oxazole-4-carboxamide?
3-(3-bromophenyl)-N-(4-ethoxyphenyl)-5-methyl-1,2-oxazole-4-carboxamide has a molecular weight of 401.26 g/mol, XLogP of 5.06, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromophenyl)-N-(4-ethoxyphenyl)-5-methyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 50805638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).