5-methyl-N-[4-(2-methylbutan-2-yl)phenyl]-1,2-oxazole-4-carboxamide

C16H20N2O2 — CID 19871639

IUPAC5-methyl-N-[4-(2-methylbutan-2-yl)phenyl]-1,2-oxazole-4-carboxamide
SMILESCCC(C)(C)c1ccc(NC(=O)c2cnoc2C)cc1
InChIInChI=1S/C16H20N2O2/c1-5-16(3,4)12-6-8-13(9-7-12)18-15(19)14-10-17-20-11(14)2/h6-10H,5H2,1-4H3,(H,18,19)
InChIKeyVWZNPDWFPULPQF-UHFFFAOYSA-N
MW272.35 g/mol
LogP3.92
Rot. Bonds4

About 5-methyl-N-[4-(2-methylbutan-2-yl)phenyl]-1,2-oxazole-4-carboxamide

5-methyl-N-[4-(2-methylbutan-2-yl)phenyl]-1,2-oxazole-4-carboxamide (PubChem CID 19871639) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 5-methyl-N-[4-(2-methylbutan-2-yl)phenyl]-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[4-(2-methylbutan-2-yl)phenyl]-1,2-oxazole-4-carboxamide
PubChem CID19871639
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name5-methyl-N-[4-(2-methylbutan-2-yl)phenyl]-1,2-oxazole-4-carboxamide
SMILESCCC(C)(C)c1ccc(NC(=O)c2cnoc2C)cc1
InChIInChI=1S/C16H20N2O2/c1-5-16(3,4)12-6-8-13(9-7-12)18-15(19)14-10-17-20-11(14)2/h6-10H,5H2,1-4H3,(H,18,19)
InChIKeyVWZNPDWFPULPQF-UHFFFAOYSA-N
XLogP3.92
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(113C)methyl-N-[4-(trifluoromethyl)phenyl]-(4,5-13C2)1,2-oxazole-4-carboxamide
CID 10869480
N-(4-iodophenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 850525
N-(4-hydroxyphenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 19439747
ethane;5-methyl-N-phenyl-1,2-oxazole-4-carboxamide;propane
CID 91575161
N-[4-[(2-aminoacetyl)amino]phenyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 15871088
3-ethyl-5-methyl-N-[4-[(5-methyl-1,2-oxazole-4-carbonyl)amino]phenyl]-1,2-oxazole-4-carboxamide
CID 51125656
propyl 4-[(5-methyl-1,2-oxazole-4-carbonyl)amino]benzoate
CID 43409696
5-methyl-N-[4-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]phenyl]-1,2-oxazole-4-carboxamide
CID 71806329
N-[4-[[(2S)-2-amino-3-methylbutanoyl]amino]phenyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 119300729
5-methyl-N-[4-(piperidine-4-carbonylamino)phenyl]-1,2-oxazole-4-carboxamide
CID 119300715
N-(4-tert-butylphenyl)-5-(methoxymethyl)-1,2-oxazole-4-carboxamide
CID 54110516
1,1-dimethyl-3-[4-(2-methylbutan-2-yl)phenyl]urea
CID 121366725

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[4-(2-methylbutan-2-yl)phenyl]-1,2-oxazole-4-carboxamide?
The IUPAC name of 5-methyl-N-[4-(2-methylbutan-2-yl)phenyl]-1,2-oxazole-4-carboxamide (CID 19871639) is 5-methyl-N-[4-(2-methylbutan-2-yl)phenyl]-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 5-methyl-N-[4-(2-methylbutan-2-yl)phenyl]-1,2-oxazole-4-carboxamide?
The canonical SMILES for 5-methyl-N-[4-(2-methylbutan-2-yl)phenyl]-1,2-oxazole-4-carboxamide is CCC(C)(C)c1ccc(NC(=O)c2cnoc2C)cc1.
What is the InChIKey of 5-methyl-N-[4-(2-methylbutan-2-yl)phenyl]-1,2-oxazole-4-carboxamide?
The InChIKey is VWZNPDWFPULPQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-5-16(3,4)12-6-8-13(9-7-12)18-15(19)14-10-17-20-11(14)2/h6-10H,5H2,1-4H3,(H,18,19).
What are the key properties of 5-methyl-N-[4-(2-methylbutan-2-yl)phenyl]-1,2-oxazole-4-carboxamide?
5-methyl-N-[4-(2-methylbutan-2-yl)phenyl]-1,2-oxazole-4-carboxamide has a molecular weight of 272.35 g/mol, XLogP of 3.92, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[4-(2-methylbutan-2-yl)phenyl]-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 19871639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).