5-methyl-N-(2-methyl-6-propan-2-ylphenyl)-3-phenyl-1,2-oxazole-4-carboxamide

C21H22N2O2 — CID 898330

IUPAC5-methyl-N-(2-methyl-6-propan-2-ylphenyl)-3-phenyl-1,2-oxazole-4-carboxamide
SMILESCc1cccc(C(C)C)c1NC(=O)c1c(-c2ccccc2)noc1C
InChIInChI=1S/C21H22N2O2/c1-13(2)17-12-8-9-14(3)19(17)22-21(24)18-15(4)25-23-20(18)16-10-6-5-7-11-16/h5-13H,1-4H3,(H,22,24)
InChIKeyWMAMIEZODHDKKA-UHFFFAOYSA-N
MW334.42 g/mol
LogP5.33
Rot. Bonds4

About 5-methyl-N-(2-methyl-6-propan-2-ylphenyl)-3-phenyl-1,2-oxazole-4-carboxamide

5-methyl-N-(2-methyl-6-propan-2-ylphenyl)-3-phenyl-1,2-oxazole-4-carboxamide (PubChem CID 898330) has the molecular formula C21H22N2O2 and a molecular weight of 334.42 g/mol. Its IUPAC name is 5-methyl-N-(2-methyl-6-propan-2-ylphenyl)-3-phenyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name5-methyl-N-(2-methyl-6-propan-2-ylphenyl)-3-phenyl-1,2-oxazole-4-carboxamide
PubChem CID898330
Molecular FormulaC21H22N2O2
Molecular Weight334.42 g/mol
Exact Mass334.17
IUPAC Name5-methyl-N-(2-methyl-6-propan-2-ylphenyl)-3-phenyl-1,2-oxazole-4-carboxamide
SMILESCc1cccc(C(C)C)c1NC(=O)c1c(-c2ccccc2)noc1C
InChIInChI=1S/C21H22N2O2/c1-13(2)17-12-8-9-14(3)19(17)22-21(24)18-15(4)25-23-20(18)16-10-6-5-7-11-16/h5-13H,1-4H3,(H,22,24)
InChIKeyWMAMIEZODHDKKA-UHFFFAOYSA-N
XLogP5.33
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.42
LogP ≤ 55.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-methyl-3,6-diphenylisoxazolo[4,5-c]pyridin-4(5H)-one
CID 4250909
(5-Methyl-3-phenyl-1,2-oxazol-4-yl)-pyrrolidin-1-ylmethanone
CID 822394
5-methyl-3-phenyl-6-(p-[dimethylaminomethyl]phenyl)-isoxazolo[4,5-c]pyridin-4(5H)-one
CID 334509
3-(2-chlorophenyl)-N-[4-(diethylamino)phenyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 1221269
3-methyl-N-(3-phenyl-1,2-oxazol-5-yl)benzamide
CID 16445174
3-(2-chlorophenyl)-5-methyl-N-[4-(propan-2-yl)phenyl]-1,2-oxazole-4-carboxamide
CID 1241573
Cambridge id 5777587
CID 869900
N-(2-fluoro-5-methylphenyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 975481
N-(3,5-dimethylphenyl)-N'-[(5-methyl-3-phenyl-4-isoxazolyl)methyl]urea
CID 2738199
N-(2,6-dimethylphenyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 741138
N-(2-carbamoylphenyl)-3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 987751
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 1010739

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(2-methyl-6-propan-2-ylphenyl)-3-phenyl-1,2-oxazole-4-carboxamide?
The IUPAC name of 5-methyl-N-(2-methyl-6-propan-2-ylphenyl)-3-phenyl-1,2-oxazole-4-carboxamide (CID 898330) is 5-methyl-N-(2-methyl-6-propan-2-ylphenyl)-3-phenyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 5-methyl-N-(2-methyl-6-propan-2-ylphenyl)-3-phenyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for 5-methyl-N-(2-methyl-6-propan-2-ylphenyl)-3-phenyl-1,2-oxazole-4-carboxamide is Cc1cccc(C(C)C)c1NC(=O)c1c(-c2ccccc2)noc1C.
What is the InChIKey of 5-methyl-N-(2-methyl-6-propan-2-ylphenyl)-3-phenyl-1,2-oxazole-4-carboxamide?
The InChIKey is WMAMIEZODHDKKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O2/c1-13(2)17-12-8-9-14(3)19(17)22-21(24)18-15(4)25-23-20(18)16-10-6-5-7-11-16/h5-13H,1-4H3,(H,22,24).
What are the key properties of 5-methyl-N-(2-methyl-6-propan-2-ylphenyl)-3-phenyl-1,2-oxazole-4-carboxamide?
5-methyl-N-(2-methyl-6-propan-2-ylphenyl)-3-phenyl-1,2-oxazole-4-carboxamide has a molecular weight of 334.42 g/mol, XLogP of 5.33, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(2-methyl-6-propan-2-ylphenyl)-3-phenyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 898330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).