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

C18H16ClNO2 — CID 102370375

IUPAC(4Z)-4-[chloro(phenyl)methylidene]-5-(2-phenylethyl)-1,3-oxazolidin-2-one
SMILESO=C1N/C(=C(\Cl)c2ccccc2)C(CCc2ccccc2)O1
InChIInChI=1S/C18H16ClNO2/c19-16(14-9-5-2-6-10-14)17-15(22-18(21)20-17)12-11-13-7-3-1-4-8-13/h1-10,15H,11-12H2,(H,20,21)/b17-16-
InChIKeyHTPFYLGJQKQMLS-MSUUIHNZSA-N
MW313.78 g/mol
LogP4.34
Rot. Bonds4

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

(4Z)-4-[chloro(phenyl)methylidene]-5-(2-phenylethyl)-1,3-oxazolidin-2-one (PubChem CID 102370375) has the molecular formula C18H16ClNO2 and a molecular weight of 313.78 g/mol. Its IUPAC name is (4Z)-4-[chloro(phenyl)methylidene]-5-(2-phenylethyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4Z)-4-[chloro(phenyl)methylidene]-5-(2-phenylethyl)-1,3-oxazolidin-2-one
PubChem CID102370375
Molecular FormulaC18H16ClNO2
Molecular Weight313.78 g/mol
Exact Mass313.09
IUPAC Name(4Z)-4-[chloro(phenyl)methylidene]-5-(2-phenylethyl)-1,3-oxazolidin-2-one
SMILESO=C1N/C(=C(\Cl)c2ccccc2)C(CCc2ccccc2)O1
InChIInChI=1S/C18H16ClNO2/c19-16(14-9-5-2-6-10-14)17-15(22-18(21)20-17)12-11-13-7-3-1-4-8-13/h1-10,15H,11-12H2,(H,20,21)/b17-16-
InChIKeyHTPFYLGJQKQMLS-MSUUIHNZSA-N
XLogP4.34
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.78
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-oxo-2-(2-phenylethyl)-4H-1,4-benzoxazine-7-carboxylic acid
CID 142671786
(4S,5S)-2,2-dimethyl-4,5-bis(2-phenylethyl)-1,3-dioxolane
CID 15482722
(2S,6S)-5-methylidene-2,6-bis(2-phenylethyl)-1,3-dioxan-4-one
CID 135007210
3-hydroxy-2-(3-phenylpropyl)-2H-furan-5-one
CID 69066807
3-[hydroxy-[(1R,2R)-2-phenylcyclopropyl]methylidene]-5-(2-phenylethyl)oxolane-2,4-dione
CID 69134277
phenyl-[3-(2-phenylethyl)oxiran-2-yl]methanone
CID 11021385
(4R,6R)-5-hydroxy-4,6-bis(2-phenylethyl)-1,3-diazinan-2-one
CID 101209097
3-hydroxy-4-(3-methylsulfanylpropanoyl)-2-(2-phenylethyl)-2H-furan-5-one
CID 69134482
3-(1-hydroxy-2-sulfanylbutylidene)-5-(2-phenylethyl)oxolane-2,4-dione
CID 173142300
(4R,5S)-4-butyl-5-(2-phenylethyl)-1,3-oxazolidin-2-one
CID 11253654
(2S,4S)-2-butyl-2-methyl-4-(2-phenylethyl)oxetan-3-one
CID 134965849
(5S)-5-(2-phenylethyl)-3-[(2R)-2-phenylpropanoyl]oxolane-2,4-dione
CID 90706760

Frequently Asked Questions

What is the IUPAC name of (4Z)-4-[chloro(phenyl)methylidene]-5-(2-phenylethyl)-1,3-oxazolidin-2-one?
The IUPAC name of (4Z)-4-[chloro(phenyl)methylidene]-5-(2-phenylethyl)-1,3-oxazolidin-2-one (CID 102370375) is (4Z)-4-[chloro(phenyl)methylidene]-5-(2-phenylethyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for (4Z)-4-[chloro(phenyl)methylidene]-5-(2-phenylethyl)-1,3-oxazolidin-2-one?
The canonical SMILES for (4Z)-4-[chloro(phenyl)methylidene]-5-(2-phenylethyl)-1,3-oxazolidin-2-one is O=C1N/C(=C(\Cl)c2ccccc2)C(CCc2ccccc2)O1.
What is the InChIKey of (4Z)-4-[chloro(phenyl)methylidene]-5-(2-phenylethyl)-1,3-oxazolidin-2-one?
The InChIKey is HTPFYLGJQKQMLS-MSUUIHNZSA-N. The full InChI is InChI=1S/C18H16ClNO2/c19-16(14-9-5-2-6-10-14)17-15(22-18(21)20-17)12-11-13-7-3-1-4-8-13/h1-10,15H,11-12H2,(H,20,21)/b17-16-.
What are the key properties of (4Z)-4-[chloro(phenyl)methylidene]-5-(2-phenylethyl)-1,3-oxazolidin-2-one?
(4Z)-4-[chloro(phenyl)methylidene]-5-(2-phenylethyl)-1,3-oxazolidin-2-one has a molecular weight of 313.78 g/mol, XLogP of 4.34, 4 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-(2-phenylethyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 102370375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).