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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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).