5-(4-chlorophenyl)-N-methyl-N-(2-methylpropyl)-1,2-oxazole-3-carboxamide

C15H17ClN2O2 — CID 69402172

IUPAC5-(4-chlorophenyl)-N-methyl-N-(2-methylpropyl)-1,2-oxazole-3-carboxamide
SMILESCC(C)CN(C)C(=O)c1cc(-c2ccc(Cl)cc2)on1
InChIInChI=1S/C15H17ClN2O2/c1-10(2)9-18(3)15(19)13-8-14(20-17-13)11-4-6-12(16)7-5-11/h4-8,10H,9H2,1-3H3
InChIKeyQQAUVBKVLCWFHW-UHFFFAOYSA-N
MW292.77 g/mol
LogP3.72
Rot. Bonds4

About 5-(4-chlorophenyl)-N-methyl-N-(2-methylpropyl)-1,2-oxazole-3-carboxamide

5-(4-chlorophenyl)-N-methyl-N-(2-methylpropyl)-1,2-oxazole-3-carboxamide (PubChem CID 69402172) has the molecular formula C15H17ClN2O2 and a molecular weight of 292.77 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-N-methyl-N-(2-methylpropyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-(4-chlorophenyl)-N-methyl-N-(2-methylpropyl)-1,2-oxazole-3-carboxamide
PubChem CID69402172
Molecular FormulaC15H17ClN2O2
Molecular Weight292.77 g/mol
Exact Mass292.10
IUPAC Name5-(4-chlorophenyl)-N-methyl-N-(2-methylpropyl)-1,2-oxazole-3-carboxamide
SMILESCC(C)CN(C)C(=O)c1cc(-c2ccc(Cl)cc2)on1
InChIInChI=1S/C15H17ClN2O2/c1-10(2)9-18(3)15(19)13-8-14(20-17-13)11-4-6-12(16)7-5-11/h4-8,10H,9H2,1-3H3
InChIKeyQQAUVBKVLCWFHW-UHFFFAOYSA-N
XLogP3.72
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.77
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-N-methyl-N-(2-methylpropyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-(4-chlorophenyl)-N-methyl-N-(2-methylpropyl)-1,2-oxazole-3-carboxamide (CID 69402172) is 5-(4-chlorophenyl)-N-methyl-N-(2-methylpropyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-(4-chlorophenyl)-N-methyl-N-(2-methylpropyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-(4-chlorophenyl)-N-methyl-N-(2-methylpropyl)-1,2-oxazole-3-carboxamide is CC(C)CN(C)C(=O)c1cc(-c2ccc(Cl)cc2)on1.
What is the InChIKey of 5-(4-chlorophenyl)-N-methyl-N-(2-methylpropyl)-1,2-oxazole-3-carboxamide?
The InChIKey is QQAUVBKVLCWFHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O2/c1-10(2)9-18(3)15(19)13-8-14(20-17-13)11-4-6-12(16)7-5-11/h4-8,10H,9H2,1-3H3.
What are the key properties of 5-(4-chlorophenyl)-N-methyl-N-(2-methylpropyl)-1,2-oxazole-3-carboxamide?
5-(4-chlorophenyl)-N-methyl-N-(2-methylpropyl)-1,2-oxazole-3-carboxamide has a molecular weight of 292.77 g/mol, XLogP of 3.72, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-N-methyl-N-(2-methylpropyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 69402172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).