5-methyl-2-(3-methyl-4-propan-2-yloxyphenyl)-1,3-oxazole-4-carboxylic acid

C15H17NO4 — CID 98019003

IUPAC5-methyl-2-(3-methyl-4-propan-2-yloxyphenyl)-1,3-oxazole-4-carboxylic acid
SMILESCc1cc(-c2nc(C(=O)O)c(C)o2)ccc1OC(C)C
InChIInChI=1S/C15H17NO4/c1-8(2)19-12-6-5-11(7-9(12)3)14-16-13(15(17)18)10(4)20-14/h5-8H,1-4H3,(H,17,18)
InChIKeyPRNUCFNRHVQKLW-UHFFFAOYSA-N
MW275.30 g/mol
LogP3.44
Rot. Bonds4

About 5-methyl-2-(3-methyl-4-propan-2-yloxyphenyl)-1,3-oxazole-4-carboxylic acid

5-methyl-2-(3-methyl-4-propan-2-yloxyphenyl)-1,3-oxazole-4-carboxylic acid (PubChem CID 98019003) has the molecular formula C15H17NO4 and a molecular weight of 275.30 g/mol. Its IUPAC name is 5-methyl-2-(3-methyl-4-propan-2-yloxyphenyl)-1,3-oxazole-4-carboxylic acid.

Molecular Properties

Compound Name5-methyl-2-(3-methyl-4-propan-2-yloxyphenyl)-1,3-oxazole-4-carboxylic acid
PubChem CID98019003
Molecular FormulaC15H17NO4
Molecular Weight275.30 g/mol
Exact Mass275.12
IUPAC Name5-methyl-2-(3-methyl-4-propan-2-yloxyphenyl)-1,3-oxazole-4-carboxylic acid
SMILESCc1cc(-c2nc(C(=O)O)c(C)o2)ccc1OC(C)C
InChIInChI=1S/C15H17NO4/c1-8(2)19-12-6-5-11(7-9(12)3)14-16-13(15(17)18)10(4)20-14/h5-8H,1-4H3,(H,17,18)
InChIKeyPRNUCFNRHVQKLW-UHFFFAOYSA-N
XLogP3.44
TPSA72.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.30
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-methyl-2-(3-methyl-4-propan-2-yloxyphenyl)-1,3-oxazole-4-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(6-bromonaphthalen-2-yl)-5-methyl-1,3-oxazole-4-carboxylic acid
CID 115354447
2-(4-chlorophenyl)-5-methyl-1,3-oxazole-4-carboxylic acid
CID 4961939
5-methyl-2-[4-[(2-methylpropan-2-yl)oxy]phenyl]-1,3-oxazole-4-carboxylic acid
CID 98018990
2-methyl-5-(3-methyl-4-propan-2-yloxyphenyl)-1H-pyrrole-3-carboxylic acid
CID 82306686
2-(2,5-dimethoxy-4-methylphenyl)-5-methyl-1,3-oxazole-4-carboxylic acid
CID 98020627
2-(3,5-dibromophenyl)-5-methyl-1,3-oxazole-4-carboxylic acid
CID 107974660
2-(3-methoxy-4-methylphenyl)-1,3-oxazole-4,5-dicarboxylic acid
CID 102953889
2-(4-butoxyphenyl)-5-methyl-1,3-oxazole-4-carboxylic acid
CID 62233003
2-(4,5-dimethylthiophen-2-yl)-5-methyl-1,3-oxazole-4-carboxylic acid
CID 65238012
5-methyl-2-(3-nitrophenyl)-1,3-oxazole-4-carboxylic acid
CID 62232635
3-[3-methyl-4-[5-(3-methyl-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]propanoic acid
CID 11646599
5-methyl-2-(1-methyl-2-oxo-3H-indol-5-yl)-1,3-oxazole-4-carboxylic acid
CID 82488432

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-(3-methyl-4-propan-2-yloxyphenyl)-1,3-oxazole-4-carboxylic acid?
The IUPAC name of 5-methyl-2-(3-methyl-4-propan-2-yloxyphenyl)-1,3-oxazole-4-carboxylic acid (CID 98019003) is 5-methyl-2-(3-methyl-4-propan-2-yloxyphenyl)-1,3-oxazole-4-carboxylic acid.
What is the SMILES notation for 5-methyl-2-(3-methyl-4-propan-2-yloxyphenyl)-1,3-oxazole-4-carboxylic acid?
The canonical SMILES for 5-methyl-2-(3-methyl-4-propan-2-yloxyphenyl)-1,3-oxazole-4-carboxylic acid is Cc1cc(-c2nc(C(=O)O)c(C)o2)ccc1OC(C)C.
What is the InChIKey of 5-methyl-2-(3-methyl-4-propan-2-yloxyphenyl)-1,3-oxazole-4-carboxylic acid?
The InChIKey is PRNUCFNRHVQKLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO4/c1-8(2)19-12-6-5-11(7-9(12)3)14-16-13(15(17)18)10(4)20-14/h5-8H,1-4H3,(H,17,18).
What are the key properties of 5-methyl-2-(3-methyl-4-propan-2-yloxyphenyl)-1,3-oxazole-4-carboxylic acid?
5-methyl-2-(3-methyl-4-propan-2-yloxyphenyl)-1,3-oxazole-4-carboxylic acid has a molecular weight of 275.30 g/mol, XLogP of 3.44, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-(3-methyl-4-propan-2-yloxyphenyl)-1,3-oxazole-4-carboxylic acid is sourced from PubChem (CID 98019003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).