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

C22H21NO2 — CID 135061677

IUPAC3-[(Z)-[(2S,5R)-2,5-diphenylcyclohex-3-en-1-ylidene]methyl]-1,3-oxazolidin-2-one
SMILESO=C1OCCN1/C=C1/C[C@@H](c2ccccc2)C=C[C@H]1c1ccccc1
InChIInChI=1S/C22H21NO2/c24-22-23(13-14-25-22)16-20-15-19(17-7-3-1-4-8-17)11-12-21(20)18-9-5-2-6-10-18/h1-12,16,19,21H,13-15H2/b20-16-/t19-,21-/m0/s1
InChIKeyJQCSNQVYUYUHCH-XKHWWQQASA-N
MW331.42 g/mol
LogP4.85
Rot. Bonds3

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

3-[(Z)-[(2S,5R)-2,5-diphenylcyclohex-3-en-1-ylidene]methyl]-1,3-oxazolidin-2-one (PubChem CID 135061677) has the molecular formula C22H21NO2 and a molecular weight of 331.42 g/mol. Its IUPAC name is 3-[(Z)-[(2S,5R)-2,5-diphenylcyclohex-3-en-1-ylidene]methyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[(Z)-[(2S,5R)-2,5-diphenylcyclohex-3-en-1-ylidene]methyl]-1,3-oxazolidin-2-one
PubChem CID135061677
Molecular FormulaC22H21NO2
Molecular Weight331.42 g/mol
Exact Mass331.16
IUPAC Name3-[(Z)-[(2S,5R)-2,5-diphenylcyclohex-3-en-1-ylidene]methyl]-1,3-oxazolidin-2-one
SMILESO=C1OCCN1/C=C1/C[C@@H](c2ccccc2)C=C[C@H]1c1ccccc1
InChIInChI=1S/C22H21NO2/c24-22-23(13-14-25-22)16-20-15-19(17-7-3-1-4-8-17)11-12-21(20)18-9-5-2-6-10-18/h1-12,16,19,21H,13-15H2/b20-16-/t19-,21-/m0/s1
InChIKeyJQCSNQVYUYUHCH-XKHWWQQASA-N
XLogP4.85
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-[(Z)-[(2S,5R)-2,5-diphenylcyclohex-3-en-1-ylidene]methyl]-1,3-oxazolidin-2-one with MolForge

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Related Compounds

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
Cinnamyl-oxazolidinone
CID 68523529
3-[(Z)-2-phenyl-2-triethylsilylethenyl]-1,3-oxazolidin-2-one
CID 138978329
3-[(Z)-2-phenyl-2-triphenylsilylethenyl]-1,3-oxazolidin-2-one
CID 138978331
Ethyl 3-[2,2-bis(4-fluorophenyl)ethenyl]pyrrolidine-1-carboxylate
CID 57075358
1-Isobutyloxycarbonyl-4-phenyl-1,4-dihydropyridine
CID 21727263
(4R)-4-benzyl-3-[(E)-2-phenylethenyl]-1,3-oxazolidin-2-one
CID 11312005
2-Oxazolidinone, 4-(diphenylmethyl)-3-(1,2-propadienyl)-, (4R)-
CID 12062006
(4R)-4-benzyl-3-(2-cyclohexylideneethenyl)-1,3-oxazolidin-2-one
CID 12173737

Frequently Asked Questions

What is the IUPAC name of 3-[(Z)-[(2S,5R)-2,5-diphenylcyclohex-3-en-1-ylidene]methyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[(Z)-[(2S,5R)-2,5-diphenylcyclohex-3-en-1-ylidene]methyl]-1,3-oxazolidin-2-one (CID 135061677) is 3-[(Z)-[(2S,5R)-2,5-diphenylcyclohex-3-en-1-ylidene]methyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[(Z)-[(2S,5R)-2,5-diphenylcyclohex-3-en-1-ylidene]methyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[(Z)-[(2S,5R)-2,5-diphenylcyclohex-3-en-1-ylidene]methyl]-1,3-oxazolidin-2-one is O=C1OCCN1/C=C1/C[C@@H](c2ccccc2)C=C[C@H]1c1ccccc1.
What is the InChIKey of 3-[(Z)-[(2S,5R)-2,5-diphenylcyclohex-3-en-1-ylidene]methyl]-1,3-oxazolidin-2-one?
The InChIKey is JQCSNQVYUYUHCH-XKHWWQQASA-N. The full InChI is InChI=1S/C22H21NO2/c24-22-23(13-14-25-22)16-20-15-19(17-7-3-1-4-8-17)11-12-21(20)18-9-5-2-6-10-18/h1-12,16,19,21H,13-15H2/b20-16-/t19-,21-/m0/s1.
What are the key properties of 3-[(Z)-[(2S,5R)-2,5-diphenylcyclohex-3-en-1-ylidene]methyl]-1,3-oxazolidin-2-one?
3-[(Z)-[(2S,5R)-2,5-diphenylcyclohex-3-en-1-ylidene]methyl]-1,3-oxazolidin-2-one has a molecular weight of 331.42 g/mol, XLogP of 4.85, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(Z)-[(2S,5R)-2,5-diphenylcyclohex-3-en-1-ylidene]methyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 135061677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).