2-(2-cyclohex-3-en-1-yl-5-methyl-1,3-oxazol-4-yl)acetic acid

C12H15NO3 — CID 13282964

IUPAC2-(2-cyclohex-3-en-1-yl-5-methyl-1,3-oxazol-4-yl)acetic acid
SMILESCc1oc(C2CC=CCC2)nc1CC(=O)O
InChIInChI=1S/C12H15NO3/c1-8-10(7-11(14)15)13-12(16-8)9-5-3-2-4-6-9/h2-3,9H,4-7H2,1H3,(H,14,15)
InChIKeyKZZNHZOPCOTXPM-UHFFFAOYSA-N
MW221.26 g/mol
LogP2.43
Rot. Bonds3

About 2-(2-cyclohex-3-en-1-yl-5-methyl-1,3-oxazol-4-yl)acetic acid

2-(2-cyclohex-3-en-1-yl-5-methyl-1,3-oxazol-4-yl)acetic acid (PubChem CID 13282964) has the molecular formula C12H15NO3 and a molecular weight of 221.26 g/mol. Its IUPAC name is 2-(2-cyclohex-3-en-1-yl-5-methyl-1,3-oxazol-4-yl)acetic acid.

Molecular Properties

Compound Name2-(2-cyclohex-3-en-1-yl-5-methyl-1,3-oxazol-4-yl)acetic acid
PubChem CID13282964
Molecular FormulaC12H15NO3
Molecular Weight221.26 g/mol
Exact Mass221.11
IUPAC Name2-(2-cyclohex-3-en-1-yl-5-methyl-1,3-oxazol-4-yl)acetic acid
SMILESCc1oc(C2CC=CCC2)nc1CC(=O)O
InChIInChI=1S/C12H15NO3/c1-8-10(7-11(14)15)13-12(16-8)9-5-3-2-4-6-9/h2-3,9H,4-7H2,1H3,(H,14,15)
InChIKeyKZZNHZOPCOTXPM-UHFFFAOYSA-N
XLogP2.43
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 2-(2-cyclohex-3-en-1-yl-5-methyl-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-cyclohex-3-en-1-yl-5-methyl-1,3-oxazol-4-yl)acetic acid?
The IUPAC name of 2-(2-cyclohex-3-en-1-yl-5-methyl-1,3-oxazol-4-yl)acetic acid (CID 13282964) is 2-(2-cyclohex-3-en-1-yl-5-methyl-1,3-oxazol-4-yl)acetic acid.
What is the SMILES notation for 2-(2-cyclohex-3-en-1-yl-5-methyl-1,3-oxazol-4-yl)acetic acid?
The canonical SMILES for 2-(2-cyclohex-3-en-1-yl-5-methyl-1,3-oxazol-4-yl)acetic acid is Cc1oc(C2CC=CCC2)nc1CC(=O)O.
What is the InChIKey of 2-(2-cyclohex-3-en-1-yl-5-methyl-1,3-oxazol-4-yl)acetic acid?
The InChIKey is KZZNHZOPCOTXPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO3/c1-8-10(7-11(14)15)13-12(16-8)9-5-3-2-4-6-9/h2-3,9H,4-7H2,1H3,(H,14,15).
What are the key properties of 2-(2-cyclohex-3-en-1-yl-5-methyl-1,3-oxazol-4-yl)acetic acid?
2-(2-cyclohex-3-en-1-yl-5-methyl-1,3-oxazol-4-yl)acetic acid has a molecular weight of 221.26 g/mol, XLogP of 2.43, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyclohex-3-en-1-yl-5-methyl-1,3-oxazol-4-yl)acetic acid is sourced from PubChem (CID 13282964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).