(4S)-4-benzyl-3-[(1S,6S)-4,6-dimethylcyclohex-3-ene-1-carbonyl]-1,3-oxazolidin-2-one

C19H23NO3 — CID 13296325

IUPAC(4S)-4-benzyl-3-[(1S,6S)-4,6-dimethylcyclohex-3-ene-1-carbonyl]-1,3-oxazolidin-2-one
SMILESCC1=CC[C@H](C(=O)N2C(=O)OC[C@@H]2Cc2ccccc2)[C@@H](C)C1
InChIInChI=1S/C19H23NO3/c1-13-8-9-17(14(2)10-13)18(21)20-16(12-23-19(20)22)11-15-6-4-3-5-7-15/h3-8,14,16-17H,9-12H2,1-2H3/t14-,16-,17-/m0/s1
InChIKeyWJFAREKOMAHCLP-XIRDDKMYSA-N
MW313.40 g/mol
LogP3.57
Rot. Bonds3

About (4S)-4-benzyl-3-[(1S,6S)-4,6-dimethylcyclohex-3-ene-1-carbonyl]-1,3-oxazolidin-2-one

(4S)-4-benzyl-3-[(1S,6S)-4,6-dimethylcyclohex-3-ene-1-carbonyl]-1,3-oxazolidin-2-one (PubChem CID 13296325) has the molecular formula C19H23NO3 and a molecular weight of 313.40 g/mol. Its IUPAC name is (4S)-4-benzyl-3-[(1S,6S)-4,6-dimethylcyclohex-3-ene-1-carbonyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-4-benzyl-3-[(1S,6S)-4,6-dimethylcyclohex-3-ene-1-carbonyl]-1,3-oxazolidin-2-one
PubChem CID13296325
Molecular FormulaC19H23NO3
Molecular Weight313.40 g/mol
Exact Mass313.17
IUPAC Name(4S)-4-benzyl-3-[(1S,6S)-4,6-dimethylcyclohex-3-ene-1-carbonyl]-1,3-oxazolidin-2-one
SMILESCC1=CC[C@H](C(=O)N2C(=O)OC[C@@H]2Cc2ccccc2)[C@@H](C)C1
InChIInChI=1S/C19H23NO3/c1-13-8-9-17(14(2)10-13)18(21)20-16(12-23-19(20)22)11-15-6-4-3-5-7-15/h3-8,14,16-17H,9-12H2,1-2H3/t14-,16-,17-/m0/s1
InChIKeyWJFAREKOMAHCLP-XIRDDKMYSA-N
XLogP3.57
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (4S)-4-benzyl-3-[(1S,6S)-4,6-dimethylcyclohex-3-ene-1-carbonyl]-1,3-oxazolidin-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 (4S)-4-benzyl-3-[(1S,6S)-4,6-dimethylcyclohex-3-ene-1-carbonyl]-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-4-benzyl-3-[(1S,6S)-4,6-dimethylcyclohex-3-ene-1-carbonyl]-1,3-oxazolidin-2-one (CID 13296325) is (4S)-4-benzyl-3-[(1S,6S)-4,6-dimethylcyclohex-3-ene-1-carbonyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-4-benzyl-3-[(1S,6S)-4,6-dimethylcyclohex-3-ene-1-carbonyl]-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-4-benzyl-3-[(1S,6S)-4,6-dimethylcyclohex-3-ene-1-carbonyl]-1,3-oxazolidin-2-one is CC1=CC[C@H](C(=O)N2C(=O)OC[C@@H]2Cc2ccccc2)[C@@H](C)C1.
What is the InChIKey of (4S)-4-benzyl-3-[(1S,6S)-4,6-dimethylcyclohex-3-ene-1-carbonyl]-1,3-oxazolidin-2-one?
The InChIKey is WJFAREKOMAHCLP-XIRDDKMYSA-N. The full InChI is InChI=1S/C19H23NO3/c1-13-8-9-17(14(2)10-13)18(21)20-16(12-23-19(20)22)11-15-6-4-3-5-7-15/h3-8,14,16-17H,9-12H2,1-2H3/t14-,16-,17-/m0/s1.
What are the key properties of (4S)-4-benzyl-3-[(1S,6S)-4,6-dimethylcyclohex-3-ene-1-carbonyl]-1,3-oxazolidin-2-one?
(4S)-4-benzyl-3-[(1S,6S)-4,6-dimethylcyclohex-3-ene-1-carbonyl]-1,3-oxazolidin-2-one has a molecular weight of 313.40 g/mol, XLogP of 3.57, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-benzyl-3-[(1S,6S)-4,6-dimethylcyclohex-3-ene-1-carbonyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 13296325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).