(5E)-3-ethyl-2-methylidene-5-[[4-(N-phenylanilino)phenyl]methylidene]-1,3-oxazolidin-4-one

C25H22N2O2 — CID 70995452

IUPAC(5E)-3-ethyl-2-methylidene-5-[[4-(N-phenylanilino)phenyl]methylidene]-1,3-oxazolidin-4-one
SMILESC=c1o/c(=C/c2ccc(N(c3ccccc3)c3ccccc3)cc2)c(=O)n1CC
InChIInChI=1S/C25H22N2O2/c1-3-26-19(2)29-24(25(26)28)18-20-14-16-23(17-15-20)27(21-10-6-4-7-11-21)22-12-8-5-9-13-22/h4-18H,2-3H2,1H3/b24-18+
InChIKeyMNSVBJSVEZVYCY-HKOYGPOVSA-N
MW382.46 g/mol
LogP4.17
Rot. Bonds5

About (5E)-3-ethyl-2-methylidene-5-[[4-(N-phenylanilino)phenyl]methylidene]-1,3-oxazolidin-4-one

(5E)-3-ethyl-2-methylidene-5-[[4-(N-phenylanilino)phenyl]methylidene]-1,3-oxazolidin-4-one (PubChem CID 70995452) has the molecular formula C25H22N2O2 and a molecular weight of 382.46 g/mol. Its IUPAC name is (5E)-3-ethyl-2-methylidene-5-[[4-(N-phenylanilino)phenyl]methylidene]-1,3-oxazolidin-4-one.

Molecular Properties

Compound Name(5E)-3-ethyl-2-methylidene-5-[[4-(N-phenylanilino)phenyl]methylidene]-1,3-oxazolidin-4-one
PubChem CID70995452
Molecular FormulaC25H22N2O2
Molecular Weight382.46 g/mol
Exact Mass382.17
IUPAC Name(5E)-3-ethyl-2-methylidene-5-[[4-(N-phenylanilino)phenyl]methylidene]-1,3-oxazolidin-4-one
SMILESC=c1o/c(=C/c2ccc(N(c3ccccc3)c3ccccc3)cc2)c(=O)n1CC
InChIInChI=1S/C25H22N2O2/c1-3-26-19(2)29-24(25(26)28)18-20-14-16-23(17-15-20)27(21-10-6-4-7-11-21)22-12-8-5-9-13-22/h4-18H,2-3H2,1H3/b24-18+
InChIKeyMNSVBJSVEZVYCY-HKOYGPOVSA-N
XLogP4.17
TPSA38.38 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5E)-3-ethyl-2-methylidene-5-[[4-(N-phenylanilino)phenyl]methylidene]-1,3-oxazolidin-4-one?
The IUPAC name of (5E)-3-ethyl-2-methylidene-5-[[4-(N-phenylanilino)phenyl]methylidene]-1,3-oxazolidin-4-one (CID 70995452) is (5E)-3-ethyl-2-methylidene-5-[[4-(N-phenylanilino)phenyl]methylidene]-1,3-oxazolidin-4-one.
What is the SMILES notation for (5E)-3-ethyl-2-methylidene-5-[[4-(N-phenylanilino)phenyl]methylidene]-1,3-oxazolidin-4-one?
The canonical SMILES for (5E)-3-ethyl-2-methylidene-5-[[4-(N-phenylanilino)phenyl]methylidene]-1,3-oxazolidin-4-one is C=c1o/c(=C/c2ccc(N(c3ccccc3)c3ccccc3)cc2)c(=O)n1CC.
What is the InChIKey of (5E)-3-ethyl-2-methylidene-5-[[4-(N-phenylanilino)phenyl]methylidene]-1,3-oxazolidin-4-one?
The InChIKey is MNSVBJSVEZVYCY-HKOYGPOVSA-N. The full InChI is InChI=1S/C25H22N2O2/c1-3-26-19(2)29-24(25(26)28)18-20-14-16-23(17-15-20)27(21-10-6-4-7-11-21)22-12-8-5-9-13-22/h4-18H,2-3H2,1H3/b24-18+.
What are the key properties of (5E)-3-ethyl-2-methylidene-5-[[4-(N-phenylanilino)phenyl]methylidene]-1,3-oxazolidin-4-one?
(5E)-3-ethyl-2-methylidene-5-[[4-(N-phenylanilino)phenyl]methylidene]-1,3-oxazolidin-4-one has a molecular weight of 382.46 g/mol, XLogP of 4.17, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-3-ethyl-2-methylidene-5-[[4-(N-phenylanilino)phenyl]methylidene]-1,3-oxazolidin-4-one is sourced from PubChem (CID 70995452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).