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

C14H13BrN2O2 — CID 50805790

IUPAC3-(3-bromophenyl)-N-cyclopropyl-5-methyl-1,2-oxazole-4-carboxamide
SMILESCc1onc(-c2cccc(Br)c2)c1C(=O)NC1CC1
InChIInChI=1S/C14H13BrN2O2/c1-8-12(14(18)16-11-5-6-11)13(17-19-8)9-3-2-4-10(15)7-9/h2-4,7,11H,5-6H2,1H3,(H,16,18)
InChIKeyLHOFAZUACYVYHW-UHFFFAOYSA-N
MW321.17 g/mol
LogP3.30
Rot. Bonds3

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

3-(3-bromophenyl)-N-cyclopropyl-5-methyl-1,2-oxazole-4-carboxamide (PubChem CID 50805790) has the molecular formula C14H13BrN2O2 and a molecular weight of 321.17 g/mol. Its IUPAC name is 3-(3-bromophenyl)-N-cyclopropyl-5-methyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name3-(3-bromophenyl)-N-cyclopropyl-5-methyl-1,2-oxazole-4-carboxamide
PubChem CID50805790
Molecular FormulaC14H13BrN2O2
Molecular Weight321.17 g/mol
Exact Mass320.02
IUPAC Name3-(3-bromophenyl)-N-cyclopropyl-5-methyl-1,2-oxazole-4-carboxamide
SMILESCc1onc(-c2cccc(Br)c2)c1C(=O)NC1CC1
InChIInChI=1S/C14H13BrN2O2/c1-8-12(14(18)16-11-5-6-11)13(17-19-8)9-3-2-4-10(15)7-9/h2-4,7,11H,5-6H2,1H3,(H,16,18)
InChIKeyLHOFAZUACYVYHW-UHFFFAOYSA-N
XLogP3.30
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.17
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[3-(3-bromophenyl)-5-methyl-1,2-oxazole-4-carbonyl]-N-cyclopentyl-1H-pyrrole-2-carboxamide
CID 57480075
methyl 3-(3-bromophenyl)-5-methyl-1,2-oxazole-4-carboxylate
CID 82135015
5-methyl-N-(4-methylcyclohexyl)-3-phenyl-1,2-oxazole-4-carboxamide
CID 4799748
3-(3-bromophenyl)-N-(3-chloro-4-methylphenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 50805699
3-(3-bromophenyl)-N-(3,4-dimethoxyphenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 50805848
3-(3-bromophenyl)-N-(4-ethoxyphenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 50805638
3-(4-fluorophenyl)-5-methyl-N-(4-phenylcyclohexyl)-1,2-oxazole-4-carboxamide
CID 39128435
3-(3-bromophenyl)-N-[(2-methoxyphenyl)methyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 50805427
5-methyl-3-phenyl-N-piperidin-3-yl-1,2-oxazole-4-carboxamide
CID 119427087
N-(4-aminocyclohexyl)-3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 119476843
N-(3,4-dihydro-2H-chromen-3-yl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 119041092
N-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 167771669

Frequently Asked Questions

What is the IUPAC name of 3-(3-bromophenyl)-N-cyclopropyl-5-methyl-1,2-oxazole-4-carboxamide?
The IUPAC name of 3-(3-bromophenyl)-N-cyclopropyl-5-methyl-1,2-oxazole-4-carboxamide (CID 50805790) is 3-(3-bromophenyl)-N-cyclopropyl-5-methyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 3-(3-bromophenyl)-N-cyclopropyl-5-methyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for 3-(3-bromophenyl)-N-cyclopropyl-5-methyl-1,2-oxazole-4-carboxamide is Cc1onc(-c2cccc(Br)c2)c1C(=O)NC1CC1.
What is the InChIKey of 3-(3-bromophenyl)-N-cyclopropyl-5-methyl-1,2-oxazole-4-carboxamide?
The InChIKey is LHOFAZUACYVYHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrN2O2/c1-8-12(14(18)16-11-5-6-11)13(17-19-8)9-3-2-4-10(15)7-9/h2-4,7,11H,5-6H2,1H3,(H,16,18).
What are the key properties of 3-(3-bromophenyl)-N-cyclopropyl-5-methyl-1,2-oxazole-4-carboxamide?
3-(3-bromophenyl)-N-cyclopropyl-5-methyl-1,2-oxazole-4-carboxamide has a molecular weight of 321.17 g/mol, XLogP of 3.30, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromophenyl)-N-cyclopropyl-5-methyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 50805790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).