5-methyl-N-(2,4,6-trimethylphenyl)-1,2-oxazole-3-carboxamide

C14H16N2O2 — CID 3076176

IUPAC5-methyl-N-(2,4,6-trimethylphenyl)-1,2-oxazole-3-carboxamide
SMILESCc1cc(C)c(NC(=O)c2cc(C)on2)c(C)c1
InChIInChI=1S/C14H16N2O2/c1-8-5-9(2)13(10(3)6-8)15-14(17)12-7-11(4)18-16-12/h5-7H,1-4H3,(H,15,17)
InChIKeyWZFHIYUUCGUYAR-UHFFFAOYSA-N
MW244.29 g/mol
LogP3.16
Rot. Bonds2

About 5-methyl-N-(2,4,6-trimethylphenyl)-1,2-oxazole-3-carboxamide

5-methyl-N-(2,4,6-trimethylphenyl)-1,2-oxazole-3-carboxamide (PubChem CID 3076176) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is 5-methyl-N-(2,4,6-trimethylphenyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-methyl-N-(2,4,6-trimethylphenyl)-1,2-oxazole-3-carboxamide
PubChem CID3076176
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC Name5-methyl-N-(2,4,6-trimethylphenyl)-1,2-oxazole-3-carboxamide
SMILESCc1cc(C)c(NC(=O)c2cc(C)on2)c(C)c1
InChIInChI=1S/C14H16N2O2/c1-8-5-9(2)13(10(3)6-8)15-14(17)12-7-11(4)18-16-12/h5-7H,1-4H3,(H,15,17)
InChIKeyWZFHIYUUCGUYAR-UHFFFAOYSA-N
XLogP3.16
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(2,4,6-trimethylphenyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-methyl-N-(2,4,6-trimethylphenyl)-1,2-oxazole-3-carboxamide (CID 3076176) is 5-methyl-N-(2,4,6-trimethylphenyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-methyl-N-(2,4,6-trimethylphenyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-methyl-N-(2,4,6-trimethylphenyl)-1,2-oxazole-3-carboxamide is Cc1cc(C)c(NC(=O)c2cc(C)on2)c(C)c1.
What is the InChIKey of 5-methyl-N-(2,4,6-trimethylphenyl)-1,2-oxazole-3-carboxamide?
The InChIKey is WZFHIYUUCGUYAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2/c1-8-5-9(2)13(10(3)6-8)15-14(17)12-7-11(4)18-16-12/h5-7H,1-4H3,(H,15,17).
What are the key properties of 5-methyl-N-(2,4,6-trimethylphenyl)-1,2-oxazole-3-carboxamide?
5-methyl-N-(2,4,6-trimethylphenyl)-1,2-oxazole-3-carboxamide has a molecular weight of 244.29 g/mol, XLogP of 3.16, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(2,4,6-trimethylphenyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 3076176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).