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

C14H16N2O2 — CID 110702258

IUPAC2-methyl-N-(4-propan-2-ylphenyl)-1,3-oxazole-5-carboxamide
SMILESCc1ncc(C(=O)Nc2ccc(C(C)C)cc2)o1
InChIInChI=1S/C14H16N2O2/c1-9(2)11-4-6-12(7-5-11)16-14(17)13-8-15-10(3)18-13/h4-9H,1-3H3,(H,16,17)
InChIKeyKTOABKJXAVYYSC-UHFFFAOYSA-N
MW244.29 g/mol
LogP3.36
Rot. Bonds3

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

2-methyl-N-(4-propan-2-ylphenyl)-1,3-oxazole-5-carboxamide (PubChem CID 110702258) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is 2-methyl-N-(4-propan-2-ylphenyl)-1,3-oxazole-5-carboxamide.

Molecular Properties

Compound Name2-methyl-N-(4-propan-2-ylphenyl)-1,3-oxazole-5-carboxamide
PubChem CID110702258
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC Name2-methyl-N-(4-propan-2-ylphenyl)-1,3-oxazole-5-carboxamide
SMILESCc1ncc(C(=O)Nc2ccc(C(C)C)cc2)o1
InChIInChI=1S/C14H16N2O2/c1-9(2)11-4-6-12(7-5-11)16-14(17)13-8-15-10(3)18-13/h4-9H,1-3H3,(H,16,17)
InChIKeyKTOABKJXAVYYSC-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

3-methyl-N-(4-propan-2-ylphenyl)-1,2-oxazole-4-carboxamide
CID 110858115
4-propan-2-yl-N-(4-propan-2-ylphenyl)benzamide
CID 1406437
N-(4-propan-2-ylphenyl)pyrimidine-5-carboxamide
CID 110466850
1-N,3-N,5-N-tris(4-propan-2-ylphenyl)benzene-1,3,5-tricarboxamide
CID 67992142
5-(3,4-dimethylphenyl)-N-(4-propan-2-ylphenyl)furan-2-carboxamide
CID 4537752
2,3-dimethyl-N-(4-propan-2-ylphenyl)pyridine-4-carboxamide
CID 110858169
5-methyl-N-(4-propan-2-ylphenyl)-1,3-thiazole-4-carboxamide
CID 110858119
5-amino-2-methyl-N-(4-propan-2-ylphenyl)pyridine-3-carboxamide
CID 61040068
N-[4-(1-hydroxyethyl)phenyl]-5-methylfuran-2-carboxamide
CID 43508359
2-bromo-N-(4-chlorophenyl)-1,3-oxazole-5-carboxamide
CID 170985777
N-[4-[(4-propan-2-ylbenzoyl)amino]phenyl]furan-2-carboxamide
CID 1114254
3-[(4-propan-2-ylphenyl)carbamoyl]-1,2-oxazole-5-carboxylic acid
CID 107369073

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(4-propan-2-ylphenyl)-1,3-oxazole-5-carboxamide?
The IUPAC name of 2-methyl-N-(4-propan-2-ylphenyl)-1,3-oxazole-5-carboxamide (CID 110702258) is 2-methyl-N-(4-propan-2-ylphenyl)-1,3-oxazole-5-carboxamide.
What is the SMILES notation for 2-methyl-N-(4-propan-2-ylphenyl)-1,3-oxazole-5-carboxamide?
The canonical SMILES for 2-methyl-N-(4-propan-2-ylphenyl)-1,3-oxazole-5-carboxamide is Cc1ncc(C(=O)Nc2ccc(C(C)C)cc2)o1.
What is the InChIKey of 2-methyl-N-(4-propan-2-ylphenyl)-1,3-oxazole-5-carboxamide?
The InChIKey is KTOABKJXAVYYSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2/c1-9(2)11-4-6-12(7-5-11)16-14(17)13-8-15-10(3)18-13/h4-9H,1-3H3,(H,16,17).
What are the key properties of 2-methyl-N-(4-propan-2-ylphenyl)-1,3-oxazole-5-carboxamide?
2-methyl-N-(4-propan-2-ylphenyl)-1,3-oxazole-5-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 2-methyl-N-(4-propan-2-ylphenyl)-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 110702258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).