5-cycloheptyl-2-phenyl-1,3-oxazole-4-carboxylic acid

C17H19NO3 — CID 62586319

IUPAC5-cycloheptyl-2-phenyl-1,3-oxazole-4-carboxylic acid
SMILESO=C(O)c1nc(-c2ccccc2)oc1C1CCCCCC1
InChIInChI=1S/C17H19NO3/c19-17(20)14-15(12-8-4-1-2-5-9-12)21-16(18-14)13-10-6-3-7-11-13/h3,6-7,10-12H,1-2,4-5,8-9H2,(H,19,20)
InChIKeyQZZQMYYGODEWMH-UHFFFAOYSA-N
MW285.34 g/mol
LogP4.48
Rot. Bonds3

About 5-cycloheptyl-2-phenyl-1,3-oxazole-4-carboxylic acid

5-cycloheptyl-2-phenyl-1,3-oxazole-4-carboxylic acid (PubChem CID 62586319) has the molecular formula C17H19NO3 and a molecular weight of 285.34 g/mol. Its IUPAC name is 5-cycloheptyl-2-phenyl-1,3-oxazole-4-carboxylic acid.

Molecular Properties

Compound Name5-cycloheptyl-2-phenyl-1,3-oxazole-4-carboxylic acid
PubChem CID62586319
Molecular FormulaC17H19NO3
Molecular Weight285.34 g/mol
Exact Mass285.14
IUPAC Name5-cycloheptyl-2-phenyl-1,3-oxazole-4-carboxylic acid
SMILESO=C(O)c1nc(-c2ccccc2)oc1C1CCCCCC1
InChIInChI=1S/C17H19NO3/c19-17(20)14-15(12-8-4-1-2-5-9-12)21-16(18-14)13-10-6-3-7-11-13/h3,6-7,10-12H,1-2,4-5,8-9H2,(H,19,20)
InChIKeyQZZQMYYGODEWMH-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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Frequently Asked Questions

What is the IUPAC name of 5-cycloheptyl-2-phenyl-1,3-oxazole-4-carboxylic acid?
The IUPAC name of 5-cycloheptyl-2-phenyl-1,3-oxazole-4-carboxylic acid (CID 62586319) is 5-cycloheptyl-2-phenyl-1,3-oxazole-4-carboxylic acid.
What is the SMILES notation for 5-cycloheptyl-2-phenyl-1,3-oxazole-4-carboxylic acid?
The canonical SMILES for 5-cycloheptyl-2-phenyl-1,3-oxazole-4-carboxylic acid is O=C(O)c1nc(-c2ccccc2)oc1C1CCCCCC1.
What is the InChIKey of 5-cycloheptyl-2-phenyl-1,3-oxazole-4-carboxylic acid?
The InChIKey is QZZQMYYGODEWMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO3/c19-17(20)14-15(12-8-4-1-2-5-9-12)21-16(18-14)13-10-6-3-7-11-13/h3,6-7,10-12H,1-2,4-5,8-9H2,(H,19,20).
What are the key properties of 5-cycloheptyl-2-phenyl-1,3-oxazole-4-carboxylic acid?
5-cycloheptyl-2-phenyl-1,3-oxazole-4-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-cycloheptyl-2-phenyl-1,3-oxazole-4-carboxylic acid is sourced from PubChem (CID 62586319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).