(4Z)-4-[chloro(phenyl)methylidene]-5-cyclohexyl-1,3-oxazolidin-2-one

C16H18ClNO2 — CID 102370374

IUPAC(4Z)-4-[chloro(phenyl)methylidene]-5-cyclohexyl-1,3-oxazolidin-2-one
SMILESO=C1N/C(=C(\Cl)c2ccccc2)C(C2CCCCC2)O1
InChIInChI=1S/C16H18ClNO2/c17-13(11-7-3-1-4-8-11)14-15(20-16(19)18-14)12-9-5-2-6-10-12/h1,3-4,7-8,12,15H,2,5-6,9-10H2,(H,18,19)/b14-13-
InChIKeyCXNAFWISSQESQA-YPKPFQOOSA-N
MW291.78 g/mol
LogP4.28
Rot. Bonds2

About (4Z)-4-[chloro(phenyl)methylidene]-5-cyclohexyl-1,3-oxazolidin-2-one

(4Z)-4-[chloro(phenyl)methylidene]-5-cyclohexyl-1,3-oxazolidin-2-one (PubChem CID 102370374) has the molecular formula C16H18ClNO2 and a molecular weight of 291.78 g/mol. Its IUPAC name is (4Z)-4-[chloro(phenyl)methylidene]-5-cyclohexyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4Z)-4-[chloro(phenyl)methylidene]-5-cyclohexyl-1,3-oxazolidin-2-one
PubChem CID102370374
Molecular FormulaC16H18ClNO2
Molecular Weight291.78 g/mol
Exact Mass291.10
IUPAC Name(4Z)-4-[chloro(phenyl)methylidene]-5-cyclohexyl-1,3-oxazolidin-2-one
SMILESO=C1N/C(=C(\Cl)c2ccccc2)C(C2CCCCC2)O1
InChIInChI=1S/C16H18ClNO2/c17-13(11-7-3-1-4-8-11)14-15(20-16(19)18-14)12-9-5-2-6-10-12/h1,3-4,7-8,12,15H,2,5-6,9-10H2,(H,18,19)/b14-13-
InChIKeyCXNAFWISSQESQA-YPKPFQOOSA-N
XLogP4.28
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.78
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4Z)-4-[chloro(phenyl)methylidene]-5-(2-phenylethyl)-1,3-oxazolidin-2-one
CID 102370375
(3E)-3-(1-chloro-3-phenylpropylidene)-4-cyclohexyloxetan-2-one
CID 11403965
(2S,3S)-2-benzoyl-3-cyclohexylspiro[cyclopropane-1,2'-indene]-1',3'-dione
CID 156784919
[(2S,3S)-3-cyclohexyloxiran-2-yl]-phenylmethanone
CID 10242955
(4-cyclohexylcyclohexyl) benzoate
CID 20686453
[(1S,2S,3R)-2-cyclohexyl-3-methylcyclopropyl]-phenylmethanone
CID 131860529
3,12-dioxapentacyclo[12.10.2.05,10.015,24.017,22]hexacosa-1(24),14,25-triene-2,13-dione
CID 129244721
(5R,6S)-3-cyclohexyl-5-methyl-6-phenylmorpholin-2-one
CID 102533542
(2-oxocycloheptyl) benzoate
CID 12723134
7-benzoylazepan-2-one
CID 70255305
2-benzoylcyclohexane-1-carbonyl chloride
CID 22288669
3-cyclohexyl-2-cyclopentyl-1-oxo-3,4-dihydroisoquinoline-4-carboxylic acid
CID 110457479

Frequently Asked Questions

What is the IUPAC name of (4Z)-4-[chloro(phenyl)methylidene]-5-cyclohexyl-1,3-oxazolidin-2-one?
The IUPAC name of (4Z)-4-[chloro(phenyl)methylidene]-5-cyclohexyl-1,3-oxazolidin-2-one (CID 102370374) is (4Z)-4-[chloro(phenyl)methylidene]-5-cyclohexyl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4Z)-4-[chloro(phenyl)methylidene]-5-cyclohexyl-1,3-oxazolidin-2-one?
The canonical SMILES for (4Z)-4-[chloro(phenyl)methylidene]-5-cyclohexyl-1,3-oxazolidin-2-one is O=C1N/C(=C(\Cl)c2ccccc2)C(C2CCCCC2)O1.
What is the InChIKey of (4Z)-4-[chloro(phenyl)methylidene]-5-cyclohexyl-1,3-oxazolidin-2-one?
The InChIKey is CXNAFWISSQESQA-YPKPFQOOSA-N. The full InChI is InChI=1S/C16H18ClNO2/c17-13(11-7-3-1-4-8-11)14-15(20-16(19)18-14)12-9-5-2-6-10-12/h1,3-4,7-8,12,15H,2,5-6,9-10H2,(H,18,19)/b14-13-.
What are the key properties of (4Z)-4-[chloro(phenyl)methylidene]-5-cyclohexyl-1,3-oxazolidin-2-one?
(4Z)-4-[chloro(phenyl)methylidene]-5-cyclohexyl-1,3-oxazolidin-2-one has a molecular weight of 291.78 g/mol, XLogP of 4.28, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-4-[chloro(phenyl)methylidene]-5-cyclohexyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 102370374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).