2-(2-cyclohexyl-5-ethyl-1,3-oxazol-4-yl)acetic acid

C13H19NO3 — CID 13282961

IUPAC2-(2-cyclohexyl-5-ethyl-1,3-oxazol-4-yl)acetic acid
SMILESCCc1oc(C2CCCCC2)nc1CC(=O)O
InChIInChI=1S/C13H19NO3/c1-2-11-10(8-12(15)16)14-13(17-11)9-6-4-3-5-7-9/h9H,2-8H2,1H3,(H,15,16)
InChIKeyHGPRKRZSJBCHIX-UHFFFAOYSA-N
MW237.30 g/mol
LogP2.91
Rot. Bonds4

About 2-(2-cyclohexyl-5-ethyl-1,3-oxazol-4-yl)acetic acid

2-(2-cyclohexyl-5-ethyl-1,3-oxazol-4-yl)acetic acid (PubChem CID 13282961) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is 2-(2-cyclohexyl-5-ethyl-1,3-oxazol-4-yl)acetic acid.

Molecular Properties

Compound Name2-(2-cyclohexyl-5-ethyl-1,3-oxazol-4-yl)acetic acid
PubChem CID13282961
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC Name2-(2-cyclohexyl-5-ethyl-1,3-oxazol-4-yl)acetic acid
SMILESCCc1oc(C2CCCCC2)nc1CC(=O)O
InChIInChI=1S/C13H19NO3/c1-2-11-10(8-12(15)16)14-13(17-11)9-6-4-3-5-7-9/h9H,2-8H2,1H3,(H,15,16)
InChIKeyHGPRKRZSJBCHIX-UHFFFAOYSA-N
XLogP2.91
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(2-cyclohexyl-5-ethyl-1,3-oxazol-4-yl)acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyclohexyl-5-ethyl-1,3-oxazol-4-yl)acetic acid?
The IUPAC name of 2-(2-cyclohexyl-5-ethyl-1,3-oxazol-4-yl)acetic acid (CID 13282961) is 2-(2-cyclohexyl-5-ethyl-1,3-oxazol-4-yl)acetic acid.
What is the SMILES notation for 2-(2-cyclohexyl-5-ethyl-1,3-oxazol-4-yl)acetic acid?
The canonical SMILES for 2-(2-cyclohexyl-5-ethyl-1,3-oxazol-4-yl)acetic acid is CCc1oc(C2CCCCC2)nc1CC(=O)O.
What is the InChIKey of 2-(2-cyclohexyl-5-ethyl-1,3-oxazol-4-yl)acetic acid?
The InChIKey is HGPRKRZSJBCHIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3/c1-2-11-10(8-12(15)16)14-13(17-11)9-6-4-3-5-7-9/h9H,2-8H2,1H3,(H,15,16).
What are the key properties of 2-(2-cyclohexyl-5-ethyl-1,3-oxazol-4-yl)acetic acid?
2-(2-cyclohexyl-5-ethyl-1,3-oxazol-4-yl)acetic acid has a molecular weight of 237.30 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyclohexyl-5-ethyl-1,3-oxazol-4-yl)acetic acid is sourced from PubChem (CID 13282961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).