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

C14H16N2O2 — CID 110858115

IUPAC3-methyl-N-(4-propan-2-ylphenyl)-1,2-oxazole-4-carboxamide
SMILESCc1nocc1C(=O)Nc1ccc(C(C)C)cc1
InChIInChI=1S/C14H16N2O2/c1-9(2)11-4-6-12(7-5-11)15-14(17)13-8-18-16-10(13)3/h4-9H,1-3H3,(H,15,17)
InChIKeyPZIFDVHNYXFPIQ-UHFFFAOYSA-N
MW244.29 g/mol
LogP3.36
Rot. Bonds3

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

3-methyl-N-(4-propan-2-ylphenyl)-1,2-oxazole-4-carboxamide (PubChem CID 110858115) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is 3-methyl-N-(4-propan-2-ylphenyl)-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name3-methyl-N-(4-propan-2-ylphenyl)-1,2-oxazole-4-carboxamide
PubChem CID110858115
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC Name3-methyl-N-(4-propan-2-ylphenyl)-1,2-oxazole-4-carboxamide
SMILESCc1nocc1C(=O)Nc1ccc(C(C)C)cc1
InChIInChI=1S/C14H16N2O2/c1-9(2)11-4-6-12(7-5-11)15-14(17)13-8-18-16-10(13)3/h4-9H,1-3H3,(H,15,17)
InChIKeyPZIFDVHNYXFPIQ-UHFFFAOYSA-N
XLogP3.36
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-ethylphenyl)-3-methyl-1,2-oxazole-4-carboxamide
CID 110857774
N-[4-(dimethylamino)phenyl]-3-methyl-1,2-oxazole-4-carboxamide
CID 110861926
2,3-dimethyl-N-(4-propan-2-ylphenyl)pyridine-4-carboxamide
CID 110858169
2-methyl-N-(4-propan-2-ylphenyl)-1,3-oxazole-5-carboxamide
CID 110702258
5-amino-2-methyl-N-(4-propan-2-ylphenyl)pyridine-3-carboxamide
CID 61040068
4-propan-2-yl-N-(4-propan-2-ylphenyl)benzamide
CID 1406437
3-hydroxy-2-methyl-N-(4-propan-2-ylphenyl)benzamide
CID 82787554
1-N,3-N,5-N-tris(4-propan-2-ylphenyl)benzene-1,3,5-tricarboxamide
CID 67992142
2-methyl-N-(4-propan-2-ylphenyl)pyrazole-3-carboxamide
CID 110467120
N-[2-(4-bromophenyl)propyl]-3-methyl-1,2-oxazole-4-carboxamide
CID 138024898
2-bromo-5-methyl-N-(4-propan-2-ylphenyl)benzamide
CID 81110310
N-(2,4-dimethylphenyl)-3-methyl-1,2-oxazole-4-carboxamide
CID 110857168

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(4-propan-2-ylphenyl)-1,2-oxazole-4-carboxamide?
The IUPAC name of 3-methyl-N-(4-propan-2-ylphenyl)-1,2-oxazole-4-carboxamide (CID 110858115) is 3-methyl-N-(4-propan-2-ylphenyl)-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 3-methyl-N-(4-propan-2-ylphenyl)-1,2-oxazole-4-carboxamide?
The canonical SMILES for 3-methyl-N-(4-propan-2-ylphenyl)-1,2-oxazole-4-carboxamide is Cc1nocc1C(=O)Nc1ccc(C(C)C)cc1.
What is the InChIKey of 3-methyl-N-(4-propan-2-ylphenyl)-1,2-oxazole-4-carboxamide?
The InChIKey is PZIFDVHNYXFPIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2/c1-9(2)11-4-6-12(7-5-11)15-14(17)13-8-18-16-10(13)3/h4-9H,1-3H3,(H,15,17).
What are the key properties of 3-methyl-N-(4-propan-2-ylphenyl)-1,2-oxazole-4-carboxamide?
3-methyl-N-(4-propan-2-ylphenyl)-1,2-oxazole-4-carboxamide has a molecular weight of 244.29 g/mol, XLogP of 3.36, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(4-propan-2-ylphenyl)-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 110858115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).