N-(4-bromo-3-methylphenyl)-5-cyclopropyl-1,2-oxazole-4-carboxamide

C14H13BrN2O2 — CID 22418149

IUPACN-(4-bromo-3-methylphenyl)-5-cyclopropyl-1,2-oxazole-4-carboxamide
SMILESCc1cc(NC(=O)c2cnoc2C2CC2)ccc1Br
InChIInChI=1S/C14H13BrN2O2/c1-8-6-10(4-5-12(8)15)17-14(18)11-7-16-19-13(11)9-2-3-9/h4-7,9H,2-3H2,1H3,(H,17,18)
InChIKeyMEIPOWMYRAOZHM-UHFFFAOYSA-N
MW321.17 g/mol
LogP3.88
Rot. Bonds3

About N-(4-bromo-3-methylphenyl)-5-cyclopropyl-1,2-oxazole-4-carboxamide

N-(4-bromo-3-methylphenyl)-5-cyclopropyl-1,2-oxazole-4-carboxamide (PubChem CID 22418149) has the molecular formula C14H13BrN2O2 and a molecular weight of 321.17 g/mol. Its IUPAC name is N-(4-bromo-3-methylphenyl)-5-cyclopropyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-(4-bromo-3-methylphenyl)-5-cyclopropyl-1,2-oxazole-4-carboxamide
PubChem CID22418149
Molecular FormulaC14H13BrN2O2
Molecular Weight321.17 g/mol
Exact Mass320.02
IUPAC NameN-(4-bromo-3-methylphenyl)-5-cyclopropyl-1,2-oxazole-4-carboxamide
SMILESCc1cc(NC(=O)c2cnoc2C2CC2)ccc1Br
InChIInChI=1S/C14H13BrN2O2/c1-8-6-10(4-5-12(8)15)17-14(18)11-7-16-19-13(11)9-2-3-9/h4-7,9H,2-3H2,1H3,(H,17,18)
InChIKeyMEIPOWMYRAOZHM-UHFFFAOYSA-N
XLogP3.88
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 ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-chloro-3-methylphenyl)-5-cyclopropyl-1,2-oxazole-4-carboxamide
CID 22418148
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2-amino-N-(4-bromo-3-methylphenyl)-3-fluoropyridine-4-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3-methylphenyl)-5-cyclopropyl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-(4-bromo-3-methylphenyl)-5-cyclopropyl-1,2-oxazole-4-carboxamide (CID 22418149) is N-(4-bromo-3-methylphenyl)-5-cyclopropyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-(4-bromo-3-methylphenyl)-5-cyclopropyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-(4-bromo-3-methylphenyl)-5-cyclopropyl-1,2-oxazole-4-carboxamide is Cc1cc(NC(=O)c2cnoc2C2CC2)ccc1Br.
What is the InChIKey of N-(4-bromo-3-methylphenyl)-5-cyclopropyl-1,2-oxazole-4-carboxamide?
The InChIKey is MEIPOWMYRAOZHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrN2O2/c1-8-6-10(4-5-12(8)15)17-14(18)11-7-16-19-13(11)9-2-3-9/h4-7,9H,2-3H2,1H3,(H,17,18).
What are the key properties of N-(4-bromo-3-methylphenyl)-5-cyclopropyl-1,2-oxazole-4-carboxamide?
N-(4-bromo-3-methylphenyl)-5-cyclopropyl-1,2-oxazole-4-carboxamide has a molecular weight of 321.17 g/mol, XLogP of 3.88, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-3-methylphenyl)-5-cyclopropyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 22418149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).