3-[(Z)-[(2S,5S,6R)-5,6-dimethyl-2-phenylcyclohex-3-en-1-ylidene]methyl]-1,3-oxazolidin-2-one

C18H21NO2 — CID 135062837

IUPAC3-[(Z)-[(2S,5S,6R)-5,6-dimethyl-2-phenylcyclohex-3-en-1-ylidene]methyl]-1,3-oxazolidin-2-one
SMILESC[C@H]1C=C[C@@H](c2ccccc2)/C(=C\N2CCOC2=O)[C@@H]1C
InChIInChI=1S/C18H21NO2/c1-13-8-9-16(15-6-4-3-5-7-15)17(14(13)2)12-19-10-11-21-18(19)20/h3-9,12-14,16H,10-11H2,1-2H3/b17-12-/t13-,14+,16-/m0/s1
InChIKeyIDIFHSDJCXKVJS-YFJUROTKSA-N
MW283.37 g/mol
LogP3.95
Rot. Bonds2

About 3-[(Z)-[(2S,5S,6R)-5,6-dimethyl-2-phenylcyclohex-3-en-1-ylidene]methyl]-1,3-oxazolidin-2-one

3-[(Z)-[(2S,5S,6R)-5,6-dimethyl-2-phenylcyclohex-3-en-1-ylidene]methyl]-1,3-oxazolidin-2-one (PubChem CID 135062837) has the molecular formula C18H21NO2 and a molecular weight of 283.37 g/mol. Its IUPAC name is 3-[(Z)-[(2S,5S,6R)-5,6-dimethyl-2-phenylcyclohex-3-en-1-ylidene]methyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[(Z)-[(2S,5S,6R)-5,6-dimethyl-2-phenylcyclohex-3-en-1-ylidene]methyl]-1,3-oxazolidin-2-one
PubChem CID135062837
Molecular FormulaC18H21NO2
Molecular Weight283.37 g/mol
Exact Mass283.16
IUPAC Name3-[(Z)-[(2S,5S,6R)-5,6-dimethyl-2-phenylcyclohex-3-en-1-ylidene]methyl]-1,3-oxazolidin-2-one
SMILESC[C@H]1C=C[C@@H](c2ccccc2)/C(=C\N2CCOC2=O)[C@@H]1C
InChIInChI=1S/C18H21NO2/c1-13-8-9-16(15-6-4-3-5-7-15)17(14(13)2)12-19-10-11-21-18(19)20/h3-9,12-14,16H,10-11H2,1-2H3/b17-12-/t13-,14+,16-/m0/s1
InChIKeyIDIFHSDJCXKVJS-YFJUROTKSA-N
XLogP3.95
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-[(Z)-[(2S,5S,6R)-5,6-dimethyl-2-phenylcyclohex-3-en-1-ylidene]methyl]-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

Related Compounds

Fenpipalone
CID 30822
Benrixate
CID 184848
3-[(E)-1-fluoro-2-phenylethenyl]-1,3-oxazolidin-2-one
CID 122391411
3-[(Z)-1-fluoro-2-phenylethenyl]-1,3-oxazolidin-2-one
CID 132965775
3-[(Z)-2-fluoro-2-phenylethenyl]-1,3-oxazolidin-2-one
CID 132969632
3-Styryl-oxazolidin-2-one
CID 13790906
3-(Phenylethynyl)oxazolidin-2-one
CID 23629254
Cinnamyl-oxazolidinone
CID 68523529
3-[2-(4-Methylphenyl)ethynyl]-1,3-oxazolidin-2-one
CID 101505475
3-[2-(3-Methylphenyl)ethynyl]-1,3-oxazolidin-2-one
CID 102450786
3-[(Z)-2-phenyl-2-triethylsilylethenyl]-1,3-oxazolidin-2-one
CID 138978329
3-[1-[(3S)-3-phenylbutyl]piperidin-4-yl]-1,3-oxazolidin-2-one
CID 97928648

Frequently Asked Questions

What is the IUPAC name of 3-[(Z)-[(2S,5S,6R)-5,6-dimethyl-2-phenylcyclohex-3-en-1-ylidene]methyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[(Z)-[(2S,5S,6R)-5,6-dimethyl-2-phenylcyclohex-3-en-1-ylidene]methyl]-1,3-oxazolidin-2-one (CID 135062837) is 3-[(Z)-[(2S,5S,6R)-5,6-dimethyl-2-phenylcyclohex-3-en-1-ylidene]methyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[(Z)-[(2S,5S,6R)-5,6-dimethyl-2-phenylcyclohex-3-en-1-ylidene]methyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[(Z)-[(2S,5S,6R)-5,6-dimethyl-2-phenylcyclohex-3-en-1-ylidene]methyl]-1,3-oxazolidin-2-one is C[C@H]1C=C[C@@H](c2ccccc2)/C(=C\N2CCOC2=O)[C@@H]1C.
What is the InChIKey of 3-[(Z)-[(2S,5S,6R)-5,6-dimethyl-2-phenylcyclohex-3-en-1-ylidene]methyl]-1,3-oxazolidin-2-one?
The InChIKey is IDIFHSDJCXKVJS-YFJUROTKSA-N. The full InChI is InChI=1S/C18H21NO2/c1-13-8-9-16(15-6-4-3-5-7-15)17(14(13)2)12-19-10-11-21-18(19)20/h3-9,12-14,16H,10-11H2,1-2H3/b17-12-/t13-,14+,16-/m0/s1.
What are the key properties of 3-[(Z)-[(2S,5S,6R)-5,6-dimethyl-2-phenylcyclohex-3-en-1-ylidene]methyl]-1,3-oxazolidin-2-one?
3-[(Z)-[(2S,5S,6R)-5,6-dimethyl-2-phenylcyclohex-3-en-1-ylidene]methyl]-1,3-oxazolidin-2-one has a molecular weight of 283.37 g/mol, XLogP of 3.95, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(Z)-[(2S,5S,6R)-5,6-dimethyl-2-phenylcyclohex-3-en-1-ylidene]methyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 135062837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).