4-(2-phenyl-1,3-oxazol-5-yl)cyclohexane-1-carboxylic acid

C16H17NO3 — CID 66678136

IUPAC4-(2-phenyl-1,3-oxazol-5-yl)cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCC(c2cnc(-c3ccccc3)o2)CC1
InChIInChI=1S/C16H17NO3/c18-16(19)13-8-6-11(7-9-13)14-10-17-15(20-14)12-4-2-1-3-5-12/h1-5,10-11,13H,6-9H2,(H,18,19)
InChIKeyAYGLWDJCQQADTK-UHFFFAOYSA-N
MW271.32 g/mol
LogP3.70
Rot. Bonds3

About 4-(2-phenyl-1,3-oxazol-5-yl)cyclohexane-1-carboxylic acid

4-(2-phenyl-1,3-oxazol-5-yl)cyclohexane-1-carboxylic acid (PubChem CID 66678136) has the molecular formula C16H17NO3 and a molecular weight of 271.32 g/mol. Its IUPAC name is 4-(2-phenyl-1,3-oxazol-5-yl)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-(2-phenyl-1,3-oxazol-5-yl)cyclohexane-1-carboxylic acid
PubChem CID66678136
Molecular FormulaC16H17NO3
Molecular Weight271.32 g/mol
Exact Mass271.12
IUPAC Name4-(2-phenyl-1,3-oxazol-5-yl)cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCC(c2cnc(-c3ccccc3)o2)CC1
InChIInChI=1S/C16H17NO3/c18-16(19)13-8-6-11(7-9-13)14-10-17-15(20-14)12-4-2-1-3-5-12/h1-5,10-11,13H,6-9H2,(H,18,19)
InChIKeyAYGLWDJCQQADTK-UHFFFAOYSA-N
XLogP3.70
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2-phenyl-1,3-oxazol-5-yl)cyclohexane-1-carboxylic acid?
The IUPAC name of 4-(2-phenyl-1,3-oxazol-5-yl)cyclohexane-1-carboxylic acid (CID 66678136) is 4-(2-phenyl-1,3-oxazol-5-yl)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-(2-phenyl-1,3-oxazol-5-yl)cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-(2-phenyl-1,3-oxazol-5-yl)cyclohexane-1-carboxylic acid is O=C(O)C1CCC(c2cnc(-c3ccccc3)o2)CC1.
What is the InChIKey of 4-(2-phenyl-1,3-oxazol-5-yl)cyclohexane-1-carboxylic acid?
The InChIKey is AYGLWDJCQQADTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO3/c18-16(19)13-8-6-11(7-9-13)14-10-17-15(20-14)12-4-2-1-3-5-12/h1-5,10-11,13H,6-9H2,(H,18,19).
What are the key properties of 4-(2-phenyl-1,3-oxazol-5-yl)cyclohexane-1-carboxylic acid?
4-(2-phenyl-1,3-oxazol-5-yl)cyclohexane-1-carboxylic acid has a molecular weight of 271.32 g/mol, XLogP of 3.70, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-phenyl-1,3-oxazol-5-yl)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 66678136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).