2-(2-cyclohexyloxyphenyl)-1,3-oxazole-4-carboxylic acid

C16H17NO4 — CID 166357895

IUPAC2-(2-cyclohexyloxyphenyl)-1,3-oxazole-4-carboxylic acid
SMILESO=C(O)c1coc(-c2ccccc2OC2CCCCC2)n1
InChIInChI=1S/C16H17NO4/c18-16(19)13-10-20-15(17-13)12-8-4-5-9-14(12)21-11-6-2-1-3-7-11/h4-5,8-11H,1-3,6-7H2,(H,18,19)
InChIKeySHNFGZMZVLIFAU-UHFFFAOYSA-N
MW287.31 g/mol
LogP3.75
Rot. Bonds4

About 2-(2-cyclohexyloxyphenyl)-1,3-oxazole-4-carboxylic acid

2-(2-cyclohexyloxyphenyl)-1,3-oxazole-4-carboxylic acid (PubChem CID 166357895) has the molecular formula C16H17NO4 and a molecular weight of 287.31 g/mol. Its IUPAC name is 2-(2-cyclohexyloxyphenyl)-1,3-oxazole-4-carboxylic acid.

Molecular Properties

Compound Name2-(2-cyclohexyloxyphenyl)-1,3-oxazole-4-carboxylic acid
PubChem CID166357895
Molecular FormulaC16H17NO4
Molecular Weight287.31 g/mol
Exact Mass287.12
IUPAC Name2-(2-cyclohexyloxyphenyl)-1,3-oxazole-4-carboxylic acid
SMILESO=C(O)c1coc(-c2ccccc2OC2CCCCC2)n1
InChIInChI=1S/C16H17NO4/c18-16(19)13-10-20-15(17-13)12-8-4-5-9-14(12)21-11-6-2-1-3-7-11/h4-5,8-11H,1-3,6-7H2,(H,18,19)
InChIKeySHNFGZMZVLIFAU-UHFFFAOYSA-N
XLogP3.75
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 ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-cyclohexyloxyphenyl)-1,3-oxazole-4-carboxylic acid?
The IUPAC name of 2-(2-cyclohexyloxyphenyl)-1,3-oxazole-4-carboxylic acid (CID 166357895) is 2-(2-cyclohexyloxyphenyl)-1,3-oxazole-4-carboxylic acid.
What is the SMILES notation for 2-(2-cyclohexyloxyphenyl)-1,3-oxazole-4-carboxylic acid?
The canonical SMILES for 2-(2-cyclohexyloxyphenyl)-1,3-oxazole-4-carboxylic acid is O=C(O)c1coc(-c2ccccc2OC2CCCCC2)n1.
What is the InChIKey of 2-(2-cyclohexyloxyphenyl)-1,3-oxazole-4-carboxylic acid?
The InChIKey is SHNFGZMZVLIFAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO4/c18-16(19)13-10-20-15(17-13)12-8-4-5-9-14(12)21-11-6-2-1-3-7-11/h4-5,8-11H,1-3,6-7H2,(H,18,19).
What are the key properties of 2-(2-cyclohexyloxyphenyl)-1,3-oxazole-4-carboxylic acid?
2-(2-cyclohexyloxyphenyl)-1,3-oxazole-4-carboxylic acid has a molecular weight of 287.31 g/mol, XLogP of 3.75, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyclohexyloxyphenyl)-1,3-oxazole-4-carboxylic acid is sourced from PubChem (CID 166357895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).