(2S,5Z)-3-benzyl-5-[1-(4-chlorophenyl)ethylidene]-2-(trifluoromethyl)-1,3-oxazolidine

C19H17ClF3NO — CID 155929872

IUPAC(2S,5Z)-3-benzyl-5-[1-(4-chlorophenyl)ethylidene]-2-(trifluoromethyl)-1,3-oxazolidine
SMILESC/C(=C1\CN(Cc2ccccc2)[C@H](C(F)(F)F)O1)c1ccc(Cl)cc1
InChIInChI=1S/C19H17ClF3NO/c1-13(15-7-9-16(20)10-8-15)17-12-24(18(25-17)19(21,22)23)11-14-5-3-2-4-6-14/h2-10,18H,11-12H2,1H3/b17-13-/t18-/m0/s1
InChIKeyBZHUJGMVAPXSKT-FDWYHIAWSA-N
MW367.80 g/mol
LogP5.49
Rot. Bonds3

About (2S,5Z)-3-benzyl-5-[1-(4-chlorophenyl)ethylidene]-2-(trifluoromethyl)-1,3-oxazolidine

(2S,5Z)-3-benzyl-5-[1-(4-chlorophenyl)ethylidene]-2-(trifluoromethyl)-1,3-oxazolidine (PubChem CID 155929872) has the molecular formula C19H17ClF3NO and a molecular weight of 367.80 g/mol. Its IUPAC name is (2S,5Z)-3-benzyl-5-[1-(4-chlorophenyl)ethylidene]-2-(trifluoromethyl)-1,3-oxazolidine.

Molecular Properties

Compound Name(2S,5Z)-3-benzyl-5-[1-(4-chlorophenyl)ethylidene]-2-(trifluoromethyl)-1,3-oxazolidine
PubChem CID155929872
Molecular FormulaC19H17ClF3NO
Molecular Weight367.80 g/mol
Exact Mass367.10
IUPAC Name(2S,5Z)-3-benzyl-5-[1-(4-chlorophenyl)ethylidene]-2-(trifluoromethyl)-1,3-oxazolidine
SMILESC/C(=C1\CN(Cc2ccccc2)[C@H](C(F)(F)F)O1)c1ccc(Cl)cc1
InChIInChI=1S/C19H17ClF3NO/c1-13(15-7-9-16(20)10-8-15)17-12-24(18(25-17)19(21,22)23)11-14-5-3-2-4-6-14/h2-10,18H,11-12H2,1H3/b17-13-/t18-/m0/s1
InChIKeyBZHUJGMVAPXSKT-FDWYHIAWSA-N
XLogP5.49
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.80
LogP ≤ 55.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(5E)-3-benzyl-5-but-3-yn-2-ylidene-2-(trifluoromethyl)-1,3-oxazolidine
CID 162411825
2-(1-benzylaziridin-2-yl)-1,1,1-trifluoropropan-2-ol
CID 102132655
(2S)-1-benzyl-3-[(Z)-1-(4-chlorophenyl)ethylideneamino]-2-naphthalen-1-ylimidazolidin-4-one
CID 94846821
(NE)-N-[(2S)-1-benzyl-2-phenylpiperidin-3-ylidene]hydroxylamine
CID 139937819
1-benzyl-3-[(4-chlorophenyl)methyl]-2-phenylimidazolidine
CID 101217631
N-[1-benzyl-2-methyl-5-oxo-4-(trifluoromethyl)imidazol-4-yl]-4-chlorobenzamide
CID 17344621
(2R)-1-benzyl-3-[(E)-1-(4-chlorophenyl)ethylideneamino]-2-pyridin-4-ylimidazolidin-4-one
CID 5441923
[(2S,3S)-1-benzyl-2-(hydroxymethyl)-3-methyl-3-(trifluoromethyl)-2H-pyrrol-4-yl]-(4-chlorophenyl)methanone
CID 138978546
(2S,4R)-1-benzyl-4-(trifluoromethyl)pyrrolidine-2-carboxylic acid
CID 175883801
1-benzyl-2-(4-chlorophenyl)piperazine
CID 22074529
(2R,3R)-1-benzyl-3-fluoro-2-methylpyrrolidine
CID 126557725
(2S,3R)-1-benzyl-3-fluoro-2-methylpyrrolidine
CID 126524305

Frequently Asked Questions

What is the IUPAC name of (2S,5Z)-3-benzyl-5-[1-(4-chlorophenyl)ethylidene]-2-(trifluoromethyl)-1,3-oxazolidine?
The IUPAC name of (2S,5Z)-3-benzyl-5-[1-(4-chlorophenyl)ethylidene]-2-(trifluoromethyl)-1,3-oxazolidine (CID 155929872) is (2S,5Z)-3-benzyl-5-[1-(4-chlorophenyl)ethylidene]-2-(trifluoromethyl)-1,3-oxazolidine.
What is the SMILES notation for (2S,5Z)-3-benzyl-5-[1-(4-chlorophenyl)ethylidene]-2-(trifluoromethyl)-1,3-oxazolidine?
The canonical SMILES for (2S,5Z)-3-benzyl-5-[1-(4-chlorophenyl)ethylidene]-2-(trifluoromethyl)-1,3-oxazolidine is C/C(=C1\CN(Cc2ccccc2)[C@H](C(F)(F)F)O1)c1ccc(Cl)cc1.
What is the InChIKey of (2S,5Z)-3-benzyl-5-[1-(4-chlorophenyl)ethylidene]-2-(trifluoromethyl)-1,3-oxazolidine?
The InChIKey is BZHUJGMVAPXSKT-FDWYHIAWSA-N. The full InChI is InChI=1S/C19H17ClF3NO/c1-13(15-7-9-16(20)10-8-15)17-12-24(18(25-17)19(21,22)23)11-14-5-3-2-4-6-14/h2-10,18H,11-12H2,1H3/b17-13-/t18-/m0/s1.
What are the key properties of (2S,5Z)-3-benzyl-5-[1-(4-chlorophenyl)ethylidene]-2-(trifluoromethyl)-1,3-oxazolidine?
(2S,5Z)-3-benzyl-5-[1-(4-chlorophenyl)ethylidene]-2-(trifluoromethyl)-1,3-oxazolidine has a molecular weight of 367.80 g/mol, XLogP of 5.49, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5Z)-3-benzyl-5-[1-(4-chlorophenyl)ethylidene]-2-(trifluoromethyl)-1,3-oxazolidine is sourced from PubChem (CID 155929872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).