5-(2-cycloheptylphenyl)-1,2-oxazole-3-carboxylic acid

C17H19NO3 — CID 117459601

IUPAC5-(2-cycloheptylphenyl)-1,2-oxazole-3-carboxylic acid
SMILESO=C(O)c1cc(-c2ccccc2C2CCCCCC2)on1
InChIInChI=1S/C17H19NO3/c19-17(20)15-11-16(21-18-15)14-10-6-5-9-13(14)12-7-3-1-2-4-8-12/h5-6,9-12H,1-4,7-8H2,(H,19,20)
InChIKeyNWRRVFTZUOPICG-UHFFFAOYSA-N
MW285.34 g/mol
LogP4.48
Rot. Bonds3

About 5-(2-cycloheptylphenyl)-1,2-oxazole-3-carboxylic acid

5-(2-cycloheptylphenyl)-1,2-oxazole-3-carboxylic acid (PubChem CID 117459601) has the molecular formula C17H19NO3 and a molecular weight of 285.34 g/mol. Its IUPAC name is 5-(2-cycloheptylphenyl)-1,2-oxazole-3-carboxylic acid.

Molecular Properties

Compound Name5-(2-cycloheptylphenyl)-1,2-oxazole-3-carboxylic acid
PubChem CID117459601
Molecular FormulaC17H19NO3
Molecular Weight285.34 g/mol
Exact Mass285.14
IUPAC Name5-(2-cycloheptylphenyl)-1,2-oxazole-3-carboxylic acid
SMILESO=C(O)c1cc(-c2ccccc2C2CCCCCC2)on1
InChIInChI=1S/C17H19NO3/c19-17(20)15-11-16(21-18-15)14-10-6-5-9-13(14)12-7-3-1-2-4-8-12/h5-6,9-12H,1-4,7-8H2,(H,19,20)
InChIKeyNWRRVFTZUOPICG-UHFFFAOYSA-N
XLogP4.48
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-[2-(1-methylazetidin-3-yl)phenyl]-1,2-oxazole-3-carboxylic acid
CID 117399099
5-(2-cyclopentylphenyl)-1,2-oxazol-3-amine
CID 117329052
2-(2-cyclopropylphenyl)-1,3-thiazole-4-carboxylic acid
CID 79978534
5-[2-(1-methylazepan-4-yl)phenyl]-1,2-oxazol-3-amine
CID 117431573
5-[2-(1-fluoroethyl)phenyl]-1,2-oxazole-3-carboxylic acid
CID 117341655
3-[2-(oxan-4-yl)phenyl]-1,2-oxazole-5-carboxylic acid
CID 117435490
5-[2-(methoxymethyl)phenyl]-1,2-oxazole-3-carboxylic acid
CID 117337528
5-[2-(diethylamino)phenyl]-1,2-oxazole-3-carboxylic acid
CID 117404780
5-[6-(methylamino)-7-oxocyclohepta-1,3,5-trien-1-yl]-1,2-oxazole-3-carboxylic acid
CID 10752923
5-(2-pyrazol-1-ylphenyl)-1,2-oxazole-3-carboxylic acid
CID 115003608
5-(3-fluoro-2-methylphenyl)-1,2-oxazole-3-carboxylic acid
CID 117315177
5-(2-cyclobutylphenyl)furan-2-carbaldehyde
CID 106886627

Frequently Asked Questions

What is the IUPAC name of 5-(2-cycloheptylphenyl)-1,2-oxazole-3-carboxylic acid?
The IUPAC name of 5-(2-cycloheptylphenyl)-1,2-oxazole-3-carboxylic acid (CID 117459601) is 5-(2-cycloheptylphenyl)-1,2-oxazole-3-carboxylic acid.
What is the SMILES notation for 5-(2-cycloheptylphenyl)-1,2-oxazole-3-carboxylic acid?
The canonical SMILES for 5-(2-cycloheptylphenyl)-1,2-oxazole-3-carboxylic acid is O=C(O)c1cc(-c2ccccc2C2CCCCCC2)on1.
What is the InChIKey of 5-(2-cycloheptylphenyl)-1,2-oxazole-3-carboxylic acid?
The InChIKey is NWRRVFTZUOPICG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO3/c19-17(20)15-11-16(21-18-15)14-10-6-5-9-13(14)12-7-3-1-2-4-8-12/h5-6,9-12H,1-4,7-8H2,(H,19,20).
What are the key properties of 5-(2-cycloheptylphenyl)-1,2-oxazole-3-carboxylic acid?
5-(2-cycloheptylphenyl)-1,2-oxazole-3-carboxylic acid has a molecular weight of 285.34 g/mol, XLogP of 4.48, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-cycloheptylphenyl)-1,2-oxazole-3-carboxylic acid is sourced from PubChem (CID 117459601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).