3-(2-cyclopentyloxy-6-methylphenyl)-1,2-oxazole-5-carboxylic acid

C16H17NO4 — CID 117463524

IUPAC3-(2-cyclopentyloxy-6-methylphenyl)-1,2-oxazole-5-carboxylic acid
SMILESCc1cccc(OC2CCCC2)c1-c1cc(C(=O)O)on1
InChIInChI=1S/C16H17NO4/c1-10-5-4-8-13(20-11-6-2-3-7-11)15(10)12-9-14(16(18)19)21-17-12/h4-5,8-9,11H,2-3,6-7H2,1H3,(H,18,19)
InChIKeyOQORQSOAEDWHSU-UHFFFAOYSA-N
MW287.31 g/mol
LogP3.67
Rot. Bonds4

About 3-(2-cyclopentyloxy-6-methylphenyl)-1,2-oxazole-5-carboxylic acid

3-(2-cyclopentyloxy-6-methylphenyl)-1,2-oxazole-5-carboxylic acid (PubChem CID 117463524) has the molecular formula C16H17NO4 and a molecular weight of 287.31 g/mol. Its IUPAC name is 3-(2-cyclopentyloxy-6-methylphenyl)-1,2-oxazole-5-carboxylic acid.

Molecular Properties

Compound Name3-(2-cyclopentyloxy-6-methylphenyl)-1,2-oxazole-5-carboxylic acid
PubChem CID117463524
Molecular FormulaC16H17NO4
Molecular Weight287.31 g/mol
Exact Mass287.12
IUPAC Name3-(2-cyclopentyloxy-6-methylphenyl)-1,2-oxazole-5-carboxylic acid
SMILESCc1cccc(OC2CCCC2)c1-c1cc(C(=O)O)on1
InChIInChI=1S/C16H17NO4/c1-10-5-4-8-13(20-11-6-2-3-7-11)15(10)12-9-14(16(18)19)21-17-12/h4-5,8-9,11H,2-3,6-7H2,1H3,(H,18,19)
InChIKeyOQORQSOAEDWHSU-UHFFFAOYSA-N
XLogP3.67
TPSA72.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.31
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(2-cyclopentyloxy-6-methylphenyl)-1-methylpyrazole-3-carboxylic acid
CID 117484177
3-(4-cyclobutyloxyphenyl)-1,2-oxazole-5-carboxylic acid
CID 117401327
3-[2-(thian-3-yloxy)phenyl]-1,2-oxazole-5-carboxylic acid
CID 117490657
3-(2-bromo-3-methylphenyl)-1,2-oxazole-5-carboxylic acid
CID 117452915
3-(2-ethoxy-6-hydroxyphenyl)-1,2-oxazole-5-carboxylic acid
CID 136998037
4-(2-cyclopentyloxy-6-methylphenyl)-1,2-oxazol-5-amine
CID 117399562
3-(2-methoxy-4,6-dimethylphenyl)-1,2-oxazole-5-carboxylic acid
CID 117369814
1-(2-cyclopentyloxy-6-methylphenyl)cyclobutane-1-carboxylic acid
CID 117438576
3-(3,6-dimethoxy-2-methylphenyl)-1,2-oxazole-5-carboxylic acid
CID 117411955
3-(2-hydroxy-4-methoxy-3,6-dimethylphenyl)-1,2-oxazole-5-carboxylic acid
CID 137004767
3-(4-methoxy-2,6-dimethylphenyl)-1,2-oxazole-5-carboxylic acid
CID 82371528
1-cyclopentyloxy-2-fluoro-3-methylbenzene
CID 103942608

Frequently Asked Questions

What is the IUPAC name of 3-(2-cyclopentyloxy-6-methylphenyl)-1,2-oxazole-5-carboxylic acid?
The IUPAC name of 3-(2-cyclopentyloxy-6-methylphenyl)-1,2-oxazole-5-carboxylic acid (CID 117463524) is 3-(2-cyclopentyloxy-6-methylphenyl)-1,2-oxazole-5-carboxylic acid.
What is the SMILES notation for 3-(2-cyclopentyloxy-6-methylphenyl)-1,2-oxazole-5-carboxylic acid?
The canonical SMILES for 3-(2-cyclopentyloxy-6-methylphenyl)-1,2-oxazole-5-carboxylic acid is Cc1cccc(OC2CCCC2)c1-c1cc(C(=O)O)on1.
What is the InChIKey of 3-(2-cyclopentyloxy-6-methylphenyl)-1,2-oxazole-5-carboxylic acid?
The InChIKey is OQORQSOAEDWHSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO4/c1-10-5-4-8-13(20-11-6-2-3-7-11)15(10)12-9-14(16(18)19)21-17-12/h4-5,8-9,11H,2-3,6-7H2,1H3,(H,18,19).
What are the key properties of 3-(2-cyclopentyloxy-6-methylphenyl)-1,2-oxazole-5-carboxylic acid?
3-(2-cyclopentyloxy-6-methylphenyl)-1,2-oxazole-5-carboxylic acid has a molecular weight of 287.31 g/mol, XLogP of 3.67, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-cyclopentyloxy-6-methylphenyl)-1,2-oxazole-5-carboxylic acid is sourced from PubChem (CID 117463524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).