N-(4-ethylphenyl)-5-propan-2-yl-1,2-oxazole-3-carboxamide

C15H18N2O2 — CID 3238292

IUPACN-(4-ethylphenyl)-5-propan-2-yl-1,2-oxazole-3-carboxamide
SMILESCCc1ccc(NC(=O)c2cc(C(C)C)on2)cc1
InChIInChI=1S/C15H18N2O2/c1-4-11-5-7-12(8-6-11)16-15(18)13-9-14(10(2)3)19-17-13/h5-10H,4H2,1-3H3,(H,16,18)
InChIKeyRHXZTRGESMJZMO-UHFFFAOYSA-N
MW258.32 g/mol
LogP3.61
Rot. Bonds4

About N-(4-ethylphenyl)-5-propan-2-yl-1,2-oxazole-3-carboxamide

N-(4-ethylphenyl)-5-propan-2-yl-1,2-oxazole-3-carboxamide (PubChem CID 3238292) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is N-(4-ethylphenyl)-5-propan-2-yl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-(4-ethylphenyl)-5-propan-2-yl-1,2-oxazole-3-carboxamide
PubChem CID3238292
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC NameN-(4-ethylphenyl)-5-propan-2-yl-1,2-oxazole-3-carboxamide
SMILESCCc1ccc(NC(=O)c2cc(C(C)C)on2)cc1
InChIInChI=1S/C15H18N2O2/c1-4-11-5-7-12(8-6-11)16-15(18)13-9-14(10(2)3)19-17-13/h5-10H,4H2,1-3H3,(H,16,18)
InChIKeyRHXZTRGESMJZMO-UHFFFAOYSA-N
XLogP3.61
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 ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-Isoxazolecarboxamide, 5-methyl-N-(2-(trifluoromethyl)phenyl)-
CID 3073007
Bml-281
CID 24951314
N-cyclopentyl-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide
CID 1093781
Isoxazolo(3,4-d)pyridazin-7(6H)-one, 3,4-dimethyl-6-phenyl-
CID 27537
Tert-butyl 3-(3-((7-(hydroxyamino)-7-oxoheptyl)carbamoyl)isoxazol-5-yl)phenylcarbamate
CID 24951312
N-cyclohexyl-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide
CID 1093785
N-(4-methoxyphenyl)-5-phenyl-1,2-oxazole-3-carboxamide
CID 1093730
N-(3,4-dimethylphenyl)-5,6-dihydro-4H-cyclopenta[d]isoxazole-3-carboxamide
CID 3353691
N-(4-ethylphenyl)-3-methyl-1,2-oxazole-5-carboxamide
CID 6622808
N-(2-hydroxy-5-methylphenyl)(5-propylisoxazol-3-yl)carboxamide
CID 17253303
N-(4-ethylphenyl)-5-propyl-3-isoxazolecarboxamide
CID 17253304
5-Phenylisoxazol-3-yl 4-phenylpiperazinyl ketone
CID 1250455

Frequently Asked Questions

What is the IUPAC name of N-(4-ethylphenyl)-5-propan-2-yl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-(4-ethylphenyl)-5-propan-2-yl-1,2-oxazole-3-carboxamide (CID 3238292) is N-(4-ethylphenyl)-5-propan-2-yl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-(4-ethylphenyl)-5-propan-2-yl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-(4-ethylphenyl)-5-propan-2-yl-1,2-oxazole-3-carboxamide is CCc1ccc(NC(=O)c2cc(C(C)C)on2)cc1.
What is the InChIKey of N-(4-ethylphenyl)-5-propan-2-yl-1,2-oxazole-3-carboxamide?
The InChIKey is RHXZTRGESMJZMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-4-11-5-7-12(8-6-11)16-15(18)13-9-14(10(2)3)19-17-13/h5-10H,4H2,1-3H3,(H,16,18).
What are the key properties of N-(4-ethylphenyl)-5-propan-2-yl-1,2-oxazole-3-carboxamide?
N-(4-ethylphenyl)-5-propan-2-yl-1,2-oxazole-3-carboxamide has a molecular weight of 258.32 g/mol, XLogP of 3.61, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylphenyl)-5-propan-2-yl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 3238292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).