2-(2,4-dimethylcyclohex-3-en-1-yl)-3-propan-2-yl-1,3-oxazolidine-4-carboxylic acid

C15H25NO3 — CID 22561625

IUPAC2-(2,4-dimethylcyclohex-3-en-1-yl)-3-propan-2-yl-1,3-oxazolidine-4-carboxylic acid
SMILESCC1=CC(C)C(C2OCC(C(=O)O)N2C(C)C)CC1
InChIInChI=1S/C15H25NO3/c1-9(2)16-13(15(17)18)8-19-14(16)12-6-5-10(3)7-11(12)4/h7,9,11-14H,5-6,8H2,1-4H3,(H,17,18)
InChIKeyYDXGIBQNIGVTTA-UHFFFAOYSA-N
MW267.37 g/mol
LogP2.50
Rot. Bonds3

About 2-(2,4-dimethylcyclohex-3-en-1-yl)-3-propan-2-yl-1,3-oxazolidine-4-carboxylic acid

2-(2,4-dimethylcyclohex-3-en-1-yl)-3-propan-2-yl-1,3-oxazolidine-4-carboxylic acid (PubChem CID 22561625) has the molecular formula C15H25NO3 and a molecular weight of 267.37 g/mol. Its IUPAC name is 2-(2,4-dimethylcyclohex-3-en-1-yl)-3-propan-2-yl-1,3-oxazolidine-4-carboxylic acid.

Molecular Properties

Compound Name2-(2,4-dimethylcyclohex-3-en-1-yl)-3-propan-2-yl-1,3-oxazolidine-4-carboxylic acid
PubChem CID22561625
Molecular FormulaC15H25NO3
Molecular Weight267.37 g/mol
Exact Mass267.18
IUPAC Name2-(2,4-dimethylcyclohex-3-en-1-yl)-3-propan-2-yl-1,3-oxazolidine-4-carboxylic acid
SMILESCC1=CC(C)C(C2OCC(C(=O)O)N2C(C)C)CC1
InChIInChI=1S/C15H25NO3/c1-9(2)16-13(15(17)18)8-19-14(16)12-6-5-10(3)7-11(12)4/h7,9,11-14H,5-6,8H2,1-4H3,(H,17,18)
InChIKeyYDXGIBQNIGVTTA-UHFFFAOYSA-N
XLogP2.50
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(2,4-dimethylcyclohex-3-en-1-yl)-3-propan-2-yl-1,3-oxazolidine-4-carboxylic 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-(2,4-dimethylcyclohex-3-en-1-yl)-3-propan-2-yl-1,3-oxazolidine-4-carboxylic acid?
The IUPAC name of 2-(2,4-dimethylcyclohex-3-en-1-yl)-3-propan-2-yl-1,3-oxazolidine-4-carboxylic acid (CID 22561625) is 2-(2,4-dimethylcyclohex-3-en-1-yl)-3-propan-2-yl-1,3-oxazolidine-4-carboxylic acid.
What is the SMILES notation for 2-(2,4-dimethylcyclohex-3-en-1-yl)-3-propan-2-yl-1,3-oxazolidine-4-carboxylic acid?
The canonical SMILES for 2-(2,4-dimethylcyclohex-3-en-1-yl)-3-propan-2-yl-1,3-oxazolidine-4-carboxylic acid is CC1=CC(C)C(C2OCC(C(=O)O)N2C(C)C)CC1.
What is the InChIKey of 2-(2,4-dimethylcyclohex-3-en-1-yl)-3-propan-2-yl-1,3-oxazolidine-4-carboxylic acid?
The InChIKey is YDXGIBQNIGVTTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO3/c1-9(2)16-13(15(17)18)8-19-14(16)12-6-5-10(3)7-11(12)4/h7,9,11-14H,5-6,8H2,1-4H3,(H,17,18).
What are the key properties of 2-(2,4-dimethylcyclohex-3-en-1-yl)-3-propan-2-yl-1,3-oxazolidine-4-carboxylic acid?
2-(2,4-dimethylcyclohex-3-en-1-yl)-3-propan-2-yl-1,3-oxazolidine-4-carboxylic acid has a molecular weight of 267.37 g/mol, XLogP of 2.50, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethylcyclohex-3-en-1-yl)-3-propan-2-yl-1,3-oxazolidine-4-carboxylic acid is sourced from PubChem (CID 22561625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).