4-hydroxy-5-(4-methylidenecyclohexyl)-3H-1,3-oxazol-2-one

C10H13NO3 — CID 54507817

IUPAC4-hydroxy-5-(4-methylidenecyclohexyl)-3H-1,3-oxazol-2-one
SMILESC=C1CCC(c2oc(=O)[nH]c2O)CC1
InChIInChI=1S/C10H13NO3/c1-6-2-4-7(5-3-6)8-9(12)11-10(13)14-8/h7,12H,1-5H2,(H,11,13)
InChIKeyYGYRXERAUJYYDQ-UHFFFAOYSA-N
MW195.22 g/mol
LogP1.89
Rot. Bonds1

About 4-hydroxy-5-(4-methylidenecyclohexyl)-3H-1,3-oxazol-2-one

4-hydroxy-5-(4-methylidenecyclohexyl)-3H-1,3-oxazol-2-one (PubChem CID 54507817) has the molecular formula C10H13NO3 and a molecular weight of 195.22 g/mol. Its IUPAC name is 4-hydroxy-5-(4-methylidenecyclohexyl)-3H-1,3-oxazol-2-one.

Molecular Properties

Compound Name4-hydroxy-5-(4-methylidenecyclohexyl)-3H-1,3-oxazol-2-one
PubChem CID54507817
Molecular FormulaC10H13NO3
Molecular Weight195.22 g/mol
Exact Mass195.09
IUPAC Name4-hydroxy-5-(4-methylidenecyclohexyl)-3H-1,3-oxazol-2-one
SMILESC=C1CCC(c2oc(=O)[nH]c2O)CC1
InChIInChI=1S/C10H13NO3/c1-6-2-4-7(5-3-6)8-9(12)11-10(13)14-8/h7,12H,1-5H2,(H,11,13)
InChIKeyYGYRXERAUJYYDQ-UHFFFAOYSA-N
XLogP1.89
TPSA66.23 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-hydroxy-5-(4-methylidenecyclohexyl)-3H-1,3-oxazol-2-one 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 4-hydroxy-5-(4-methylidenecyclohexyl)-3H-1,3-oxazol-2-one?
The IUPAC name of 4-hydroxy-5-(4-methylidenecyclohexyl)-3H-1,3-oxazol-2-one (CID 54507817) is 4-hydroxy-5-(4-methylidenecyclohexyl)-3H-1,3-oxazol-2-one.
What is the SMILES notation for 4-hydroxy-5-(4-methylidenecyclohexyl)-3H-1,3-oxazol-2-one?
The canonical SMILES for 4-hydroxy-5-(4-methylidenecyclohexyl)-3H-1,3-oxazol-2-one is C=C1CCC(c2oc(=O)[nH]c2O)CC1.
What is the InChIKey of 4-hydroxy-5-(4-methylidenecyclohexyl)-3H-1,3-oxazol-2-one?
The InChIKey is YGYRXERAUJYYDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO3/c1-6-2-4-7(5-3-6)8-9(12)11-10(13)14-8/h7,12H,1-5H2,(H,11,13).
What are the key properties of 4-hydroxy-5-(4-methylidenecyclohexyl)-3H-1,3-oxazol-2-one?
4-hydroxy-5-(4-methylidenecyclohexyl)-3H-1,3-oxazol-2-one has a molecular weight of 195.22 g/mol, XLogP of 1.89, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-5-(4-methylidenecyclohexyl)-3H-1,3-oxazol-2-one is sourced from PubChem (CID 54507817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).