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

C15H18N2O2 — CID 17253347

IUPACN-(4-methylphenyl)-5-(2-methylpropyl)-1,2-oxazole-3-carboxamide
SMILESCc1ccc(NC(=O)c2cc(CC(C)C)on2)cc1
InChIInChI=1S/C15H18N2O2/c1-10(2)8-13-9-14(17-19-13)15(18)16-12-6-4-11(3)5-7-12/h4-7,9-10H,8H2,1-3H3,(H,16,18)
InChIKeyFNCLTUVUVOBCST-UHFFFAOYSA-N
MW258.32 g/mol
LogP3.43
Rot. Bonds4

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

N-(4-methylphenyl)-5-(2-methylpropyl)-1,2-oxazole-3-carboxamide (PubChem CID 17253347) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is N-(4-methylphenyl)-5-(2-methylpropyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-(4-methylphenyl)-5-(2-methylpropyl)-1,2-oxazole-3-carboxamide
PubChem CID17253347
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC NameN-(4-methylphenyl)-5-(2-methylpropyl)-1,2-oxazole-3-carboxamide
SMILESCc1ccc(NC(=O)c2cc(CC(C)C)on2)cc1
InChIInChI=1S/C15H18N2O2/c1-10(2)8-13-9-14(17-19-13)15(18)16-12-6-4-11(3)5-7-12/h4-7,9-10H,8H2,1-3H3,(H,16,18)
InChIKeyFNCLTUVUVOBCST-UHFFFAOYSA-N
XLogP3.43
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)-5-(2-methylpropyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of N-(4-methylphenyl)-5-(2-methylpropyl)-1,2-oxazole-3-carboxamide (CID 17253347) is N-(4-methylphenyl)-5-(2-methylpropyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-(4-methylphenyl)-5-(2-methylpropyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-(4-methylphenyl)-5-(2-methylpropyl)-1,2-oxazole-3-carboxamide is Cc1ccc(NC(=O)c2cc(CC(C)C)on2)cc1.
What is the InChIKey of N-(4-methylphenyl)-5-(2-methylpropyl)-1,2-oxazole-3-carboxamide?
The InChIKey is FNCLTUVUVOBCST-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-10(2)8-13-9-14(17-19-13)15(18)16-12-6-4-11(3)5-7-12/h4-7,9-10H,8H2,1-3H3,(H,16,18).
What are the key properties of N-(4-methylphenyl)-5-(2-methylpropyl)-1,2-oxazole-3-carboxamide?
N-(4-methylphenyl)-5-(2-methylpropyl)-1,2-oxazole-3-carboxamide has a molecular weight of 258.32 g/mol, XLogP of 3.43, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)-5-(2-methylpropyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 17253347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).