3-(4-cycloheptylphenyl)-1,2-oxazole-5-carboxylic acid

C17H19NO3 — CID 117459623

IUPAC3-(4-cycloheptylphenyl)-1,2-oxazole-5-carboxylic acid
SMILESO=C(O)c1cc(-c2ccc(C3CCCCCC3)cc2)no1
InChIInChI=1S/C17H19NO3/c19-17(20)16-11-15(18-21-16)14-9-7-13(8-10-14)12-5-3-1-2-4-6-12/h7-12H,1-6H2,(H,19,20)
InChIKeyVJMKTUTZAXAODC-UHFFFAOYSA-N
MW285.34 g/mol
LogP4.48
Rot. Bonds3

About 3-(4-cycloheptylphenyl)-1,2-oxazole-5-carboxylic acid

3-(4-cycloheptylphenyl)-1,2-oxazole-5-carboxylic acid (PubChem CID 117459623) has the molecular formula C17H19NO3 and a molecular weight of 285.34 g/mol. Its IUPAC name is 3-(4-cycloheptylphenyl)-1,2-oxazole-5-carboxylic acid.

Molecular Properties

Compound Name3-(4-cycloheptylphenyl)-1,2-oxazole-5-carboxylic acid
PubChem CID117459623
Molecular FormulaC17H19NO3
Molecular Weight285.34 g/mol
Exact Mass285.14
IUPAC Name3-(4-cycloheptylphenyl)-1,2-oxazole-5-carboxylic acid
SMILESO=C(O)c1cc(-c2ccc(C3CCCCCC3)cc2)no1
InChIInChI=1S/C17H19NO3/c19-17(20)16-11-15(18-21-16)14-9-7-13(8-10-14)12-5-3-1-2-4-6-12/h7-12H,1-6H2,(H,19,20)
InChIKeyVJMKTUTZAXAODC-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

3-[4-(thian-4-yl)phenyl]-1,2-oxazole-5-carboxylic acid
CID 117467511
3-[4-(1-methylpiperidin-4-yl)phenyl]-1,2-oxazole-5-carboxylic acid
CID 117461861
4-[5-(4-cyclohexylphenyl)-1,2-oxazol-3-yl]benzoic acid
CID 58428392
3-(4-cyclobutyloxyphenyl)-1,2-oxazole-5-carboxylic acid
CID 117401327
3-cyclopentyl-1,2-oxazole-5-carboxylic acid
CID 56828658
3-[3-(1-methylpiperidin-4-yl)phenyl]-1,2-oxazole-5-carboxylic acid
CID 117461860
3-[4-(oxetan-3-ylmethyl)phenyl]-1,2-oxazole-5-carboxylic acid
CID 117401338
1-cyclohexyl-4-(4-cyclohexylphenyl)benzene;hydrogen peroxide
CID 175051125
3-[4-(oxan-3-yloxy)phenyl]-1,2-oxazole-5-carboxylic acid
CID 117467181
3-pyridazin-4-yl-1,2-oxazole-5-carboxylic acid
CID 59438307
3-[3-chloro-4-(oxan-4-yl)phenyl]-1,2-oxazole-5-carboxylic acid
CID 117492610
3-(3,4-difluorophenyl)-1,2-oxazole-5-carboxylic acid
CID 29078560

Frequently Asked Questions

What is the IUPAC name of 3-(4-cycloheptylphenyl)-1,2-oxazole-5-carboxylic acid?
The IUPAC name of 3-(4-cycloheptylphenyl)-1,2-oxazole-5-carboxylic acid (CID 117459623) is 3-(4-cycloheptylphenyl)-1,2-oxazole-5-carboxylic acid.
What is the SMILES notation for 3-(4-cycloheptylphenyl)-1,2-oxazole-5-carboxylic acid?
The canonical SMILES for 3-(4-cycloheptylphenyl)-1,2-oxazole-5-carboxylic acid is O=C(O)c1cc(-c2ccc(C3CCCCCC3)cc2)no1.
What is the InChIKey of 3-(4-cycloheptylphenyl)-1,2-oxazole-5-carboxylic acid?
The InChIKey is VJMKTUTZAXAODC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO3/c19-17(20)16-11-15(18-21-16)14-9-7-13(8-10-14)12-5-3-1-2-4-6-12/h7-12H,1-6H2,(H,19,20).
What are the key properties of 3-(4-cycloheptylphenyl)-1,2-oxazole-5-carboxylic acid?
3-(4-cycloheptylphenyl)-1,2-oxazole-5-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 3-(4-cycloheptylphenyl)-1,2-oxazole-5-carboxylic acid is sourced from PubChem (CID 117459623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).