(5E)-3-methyl-2-methylidene-5-[[4-(N-[(3E)-penta-1,3-dien-3-yl]anilino)phenyl]methylidene]-1,3-oxazolidin-4-one

C23H22N2O2 — CID 163714243

IUPAC(5E)-3-methyl-2-methylidene-5-[[4-(N-[(3E)-penta-1,3-dien-3-yl]anilino)phenyl]methylidene]-1,3-oxazolidin-4-one
SMILESC=C/C(=C\C)N(c1ccccc1)c1ccc(/C=c2/oc(=C)n(C)c2=O)cc1
InChIInChI=1S/C23H22N2O2/c1-5-19(6-2)25(20-10-8-7-9-11-20)21-14-12-18(13-15-21)16-22-23(26)24(4)17(3)27-22/h5-16H,1,3H2,2,4H3/b19-6+,22-16+
InChIKeyKLYIUTDMEWXUMH-GLWZJAAWSA-N
MW358.44 g/mol
LogP3.45
Rot. Bonds5

About (5E)-3-methyl-2-methylidene-5-[[4-(N-[(3E)-penta-1,3-dien-3-yl]anilino)phenyl]methylidene]-1,3-oxazolidin-4-one

(5E)-3-methyl-2-methylidene-5-[[4-(N-[(3E)-penta-1,3-dien-3-yl]anilino)phenyl]methylidene]-1,3-oxazolidin-4-one (PubChem CID 163714243) has the molecular formula C23H22N2O2 and a molecular weight of 358.44 g/mol. Its IUPAC name is (5E)-3-methyl-2-methylidene-5-[[4-(N-[(3E)-penta-1,3-dien-3-yl]anilino)phenyl]methylidene]-1,3-oxazolidin-4-one.

Molecular Properties

Compound Name(5E)-3-methyl-2-methylidene-5-[[4-(N-[(3E)-penta-1,3-dien-3-yl]anilino)phenyl]methylidene]-1,3-oxazolidin-4-one
PubChem CID163714243
Molecular FormulaC23H22N2O2
Molecular Weight358.44 g/mol
Exact Mass358.17
IUPAC Name(5E)-3-methyl-2-methylidene-5-[[4-(N-[(3E)-penta-1,3-dien-3-yl]anilino)phenyl]methylidene]-1,3-oxazolidin-4-one
SMILESC=C/C(=C\C)N(c1ccccc1)c1ccc(/C=c2/oc(=C)n(C)c2=O)cc1
InChIInChI=1S/C23H22N2O2/c1-5-19(6-2)25(20-10-8-7-9-11-20)21-14-12-18(13-15-21)16-22-23(26)24(4)17(3)27-22/h5-16H,1,3H2,2,4H3/b19-6+,22-16+
InChIKeyKLYIUTDMEWXUMH-GLWZJAAWSA-N
XLogP3.45
TPSA38.38 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5E)-3-methyl-2-methylidene-5-[[4-(N-[(3E)-penta-1,3-dien-3-yl]anilino)phenyl]methylidene]-1,3-oxazolidin-4-one?
The IUPAC name of (5E)-3-methyl-2-methylidene-5-[[4-(N-[(3E)-penta-1,3-dien-3-yl]anilino)phenyl]methylidene]-1,3-oxazolidin-4-one (CID 163714243) is (5E)-3-methyl-2-methylidene-5-[[4-(N-[(3E)-penta-1,3-dien-3-yl]anilino)phenyl]methylidene]-1,3-oxazolidin-4-one.
What is the SMILES notation for (5E)-3-methyl-2-methylidene-5-[[4-(N-[(3E)-penta-1,3-dien-3-yl]anilino)phenyl]methylidene]-1,3-oxazolidin-4-one?
The canonical SMILES for (5E)-3-methyl-2-methylidene-5-[[4-(N-[(3E)-penta-1,3-dien-3-yl]anilino)phenyl]methylidene]-1,3-oxazolidin-4-one is C=C/C(=C\C)N(c1ccccc1)c1ccc(/C=c2/oc(=C)n(C)c2=O)cc1.
What is the InChIKey of (5E)-3-methyl-2-methylidene-5-[[4-(N-[(3E)-penta-1,3-dien-3-yl]anilino)phenyl]methylidene]-1,3-oxazolidin-4-one?
The InChIKey is KLYIUTDMEWXUMH-GLWZJAAWSA-N. The full InChI is InChI=1S/C23H22N2O2/c1-5-19(6-2)25(20-10-8-7-9-11-20)21-14-12-18(13-15-21)16-22-23(26)24(4)17(3)27-22/h5-16H,1,3H2,2,4H3/b19-6+,22-16+.
What are the key properties of (5E)-3-methyl-2-methylidene-5-[[4-(N-[(3E)-penta-1,3-dien-3-yl]anilino)phenyl]methylidene]-1,3-oxazolidin-4-one?
(5E)-3-methyl-2-methylidene-5-[[4-(N-[(3E)-penta-1,3-dien-3-yl]anilino)phenyl]methylidene]-1,3-oxazolidin-4-one has a molecular weight of 358.44 g/mol, XLogP of 3.45, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-3-methyl-2-methylidene-5-[[4-(N-[(3E)-penta-1,3-dien-3-yl]anilino)phenyl]methylidene]-1,3-oxazolidin-4-one is sourced from PubChem (CID 163714243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).