5-(4-tert-butylphenyl)-N-(2-methylprop-2-enyl)-1,2-oxazole-3-carboxamide

C18H22N2O2 — CID 24964413

IUPAC5-(4-tert-butylphenyl)-N-(2-methylprop-2-enyl)-1,2-oxazole-3-carboxamide
SMILESC=C(C)CNC(=O)c1cc(-c2ccc(C(C)(C)C)cc2)on1
InChIInChI=1S/C18H22N2O2/c1-12(2)11-19-17(21)15-10-16(22-20-15)13-6-8-14(9-7-13)18(3,4)5/h6-10H,1,11H2,2-5H3,(H,19,21)
InChIKeyOXMPEICMUBHETG-UHFFFAOYSA-N
MW298.39 g/mol
LogP3.94
Rot. Bonds4

About 5-(4-tert-butylphenyl)-N-(2-methylprop-2-enyl)-1,2-oxazole-3-carboxamide

5-(4-tert-butylphenyl)-N-(2-methylprop-2-enyl)-1,2-oxazole-3-carboxamide (PubChem CID 24964413) has the molecular formula C18H22N2O2 and a molecular weight of 298.39 g/mol. Its IUPAC name is 5-(4-tert-butylphenyl)-N-(2-methylprop-2-enyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-(4-tert-butylphenyl)-N-(2-methylprop-2-enyl)-1,2-oxazole-3-carboxamide
PubChem CID24964413
Molecular FormulaC18H22N2O2
Molecular Weight298.39 g/mol
Exact Mass298.17
IUPAC Name5-(4-tert-butylphenyl)-N-(2-methylprop-2-enyl)-1,2-oxazole-3-carboxamide
SMILESC=C(C)CNC(=O)c1cc(-c2ccc(C(C)(C)C)cc2)on1
InChIInChI=1S/C18H22N2O2/c1-12(2)11-19-17(21)15-10-16(22-20-15)13-6-8-14(9-7-13)18(3,4)5/h6-10H,1,11H2,2-5H3,(H,19,21)
InChIKeyOXMPEICMUBHETG-UHFFFAOYSA-N
XLogP3.94
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-(2-aminoethyl)-5-(4-tert-butylphenyl)-1,2-oxazole-3-carboxamide
CID 71090833
5-(4-tert-butylphenyl)-N-(3-methylbutyl)-1,2-oxazole-3-carboxamide
CID 46087322
N-[2-(4-tert-butylphenyl)ethyl]-5-pyridin-4-yl-1,2-oxazole-3-carboxamide
CID 112845456
N-(2-amino-2-methylpropyl)-5-(4-chlorophenyl)-1,2-oxazole-3-carboxamide
CID 119629061
N-[(2R)-2-(4-tert-butylphenyl)-2-(dimethylamino)ethyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 26833910
N-(2-amino-2-methylpropyl)-5-pyridin-4-yl-1,2-oxazole-3-carboxamide;dihydrochloride
CID 119630359
4-tert-butyl-N-[[5-(4-chlorophenyl)-1,2-oxazol-3-yl]methyl]benzamide
CID 16866729
N-(2-hydroxy-2-phenylpropyl)-5-pyridin-4-yl-1,2-oxazole-3-carboxamide
CID 111335201
5-(4-chlorophenyl)-N-(4-hydroxy-2-methylbutan-2-yl)-1,2-oxazole-3-carboxamide
CID 75448483
N-[2-(3-methylbutan-2-ylamino)-2-oxoethyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 51103232
N-[(2R)-2-(4-tert-butylphenyl)-2-(diethylamino)ethyl]-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2-oxazole-3-carboxamide
CID 97161699
N-[2-oxo-2-(pyridin-2-ylamino)ethyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 51103315

Frequently Asked Questions

What is the IUPAC name of 5-(4-tert-butylphenyl)-N-(2-methylprop-2-enyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-(4-tert-butylphenyl)-N-(2-methylprop-2-enyl)-1,2-oxazole-3-carboxamide (CID 24964413) is 5-(4-tert-butylphenyl)-N-(2-methylprop-2-enyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-(4-tert-butylphenyl)-N-(2-methylprop-2-enyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-(4-tert-butylphenyl)-N-(2-methylprop-2-enyl)-1,2-oxazole-3-carboxamide is C=C(C)CNC(=O)c1cc(-c2ccc(C(C)(C)C)cc2)on1.
What is the InChIKey of 5-(4-tert-butylphenyl)-N-(2-methylprop-2-enyl)-1,2-oxazole-3-carboxamide?
The InChIKey is OXMPEICMUBHETG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2/c1-12(2)11-19-17(21)15-10-16(22-20-15)13-6-8-14(9-7-13)18(3,4)5/h6-10H,1,11H2,2-5H3,(H,19,21).
What are the key properties of 5-(4-tert-butylphenyl)-N-(2-methylprop-2-enyl)-1,2-oxazole-3-carboxamide?
5-(4-tert-butylphenyl)-N-(2-methylprop-2-enyl)-1,2-oxazole-3-carboxamide has a molecular weight of 298.39 g/mol, XLogP of 3.94, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-tert-butylphenyl)-N-(2-methylprop-2-enyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 24964413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).