5-methyl-3-phenyl-N,N-di(propan-2-yl)-1,2-oxazole-4-carboxamide

C17H22N2O2 — CID 4525526

IUPAC5-methyl-3-phenyl-N,N-di(propan-2-yl)-1,2-oxazole-4-carboxamide
SMILESCc1onc(-c2ccccc2)c1C(=O)N(C(C)C)C(C)C
InChIInChI=1S/C17H22N2O2/c1-11(2)19(12(3)4)17(20)15-13(5)21-18-16(15)14-9-7-6-8-10-14/h6-12H,1-5H3
InChIKeyWGKZJWDDMNRIRG-UHFFFAOYSA-N
MW286.37 g/mol
LogP3.91
Rot. Bonds4

About 5-methyl-3-phenyl-N,N-di(propan-2-yl)-1,2-oxazole-4-carboxamide

5-methyl-3-phenyl-N,N-di(propan-2-yl)-1,2-oxazole-4-carboxamide (PubChem CID 4525526) has the molecular formula C17H22N2O2 and a molecular weight of 286.37 g/mol. Its IUPAC name is 5-methyl-3-phenyl-N,N-di(propan-2-yl)-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name5-methyl-3-phenyl-N,N-di(propan-2-yl)-1,2-oxazole-4-carboxamide
PubChem CID4525526
Molecular FormulaC17H22N2O2
Molecular Weight286.37 g/mol
Exact Mass286.17
IUPAC Name5-methyl-3-phenyl-N,N-di(propan-2-yl)-1,2-oxazole-4-carboxamide
SMILESCc1onc(-c2ccccc2)c1C(=O)N(C(C)C)C(C)C
InChIInChI=1S/C17H22N2O2/c1-11(2)19(12(3)4)17(20)15-13(5)21-18-16(15)14-9-7-6-8-10-14/h6-12H,1-5H3
InChIKeyWGKZJWDDMNRIRG-UHFFFAOYSA-N
XLogP3.91
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-methyl-3-phenyl-N,N-bis(prop-2-enyl)-1,2-oxazole-4-carboxamide
CID 807635
N,N-bis(2-cyanoethyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 2210713
(5-methyl-3-phenyl-1,2-oxazol-4-yl)-pyrrol-1-ylmethanone
CID 2803917
N-butyl-5-methyl-N,3-diphenyl-1,2-oxazole-4-carboxamide
CID 17256808
N-benzyl-N-(2-hydroxyethyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 78795967
tert-butyl 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate
CID 10753766
N-[[4-(dimethylamino)phenyl]methyl]-N,5-dimethyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 78801211
N,5-dimethyl-N-[(5-methylfuran-2-yl)methyl]-3-phenyl-1,2-oxazole-4-carboxamide
CID 4807520
N-(azepan-4-yl)-N,5-dimethyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 154841992
5-methyl-1,3-diphenyl-N,N-di(propan-2-yl)pyrazole-4-carboxamide
CID 3079315
N-[2-(diethylamino)-2-phenylethyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 18167064
N-[1-(furan-2-yl)ethyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 18110349

Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-phenyl-N,N-di(propan-2-yl)-1,2-oxazole-4-carboxamide?
The IUPAC name of 5-methyl-3-phenyl-N,N-di(propan-2-yl)-1,2-oxazole-4-carboxamide (CID 4525526) is 5-methyl-3-phenyl-N,N-di(propan-2-yl)-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 5-methyl-3-phenyl-N,N-di(propan-2-yl)-1,2-oxazole-4-carboxamide?
The canonical SMILES for 5-methyl-3-phenyl-N,N-di(propan-2-yl)-1,2-oxazole-4-carboxamide is Cc1onc(-c2ccccc2)c1C(=O)N(C(C)C)C(C)C.
What is the InChIKey of 5-methyl-3-phenyl-N,N-di(propan-2-yl)-1,2-oxazole-4-carboxamide?
The InChIKey is WGKZJWDDMNRIRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-11(2)19(12(3)4)17(20)15-13(5)21-18-16(15)14-9-7-6-8-10-14/h6-12H,1-5H3.
What are the key properties of 5-methyl-3-phenyl-N,N-di(propan-2-yl)-1,2-oxazole-4-carboxamide?
5-methyl-3-phenyl-N,N-di(propan-2-yl)-1,2-oxazole-4-carboxamide has a molecular weight of 286.37 g/mol, XLogP of 3.91, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-phenyl-N,N-di(propan-2-yl)-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 4525526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).