(5E)-N-ethenyl-5-ethylidene-2-phenyl-1,3-oxazol-4-imine

C13H12N2O — CID 170405322

IUPAC(5E)-N-ethenyl-5-ethylidene-2-phenyl-1,3-oxazol-4-imine
SMILESC=C/N=C1\N=C(c2ccccc2)O\C1=C\C
InChIInChI=1S/C13H12N2O/c1-3-11-12(14-4-2)15-13(16-11)10-8-6-5-7-9-10/h3-9H,2H2,1H3/b11-3+,14-12-
InChIKeyQYAYCVJHTLVXKH-JGBGOQPFSA-N
MW212.25 g/mol
LogP2.91
Rot. Bonds2

About (5E)-N-ethenyl-5-ethylidene-2-phenyl-1,3-oxazol-4-imine

(5E)-N-ethenyl-5-ethylidene-2-phenyl-1,3-oxazol-4-imine (PubChem CID 170405322) has the molecular formula C13H12N2O and a molecular weight of 212.25 g/mol. Its IUPAC name is (5E)-N-ethenyl-5-ethylidene-2-phenyl-1,3-oxazol-4-imine.

Molecular Properties

Compound Name(5E)-N-ethenyl-5-ethylidene-2-phenyl-1,3-oxazol-4-imine
PubChem CID170405322
Molecular FormulaC13H12N2O
Molecular Weight212.25 g/mol
Exact Mass212.09
IUPAC Name(5E)-N-ethenyl-5-ethylidene-2-phenyl-1,3-oxazol-4-imine
SMILESC=C/N=C1\N=C(c2ccccc2)O\C1=C\C
InChIInChI=1S/C13H12N2O/c1-3-11-12(14-4-2)15-13(16-11)10-8-6-5-7-9-10/h3-9H,2H2,1H3/b11-3+,14-12-
InChIKeyQYAYCVJHTLVXKH-JGBGOQPFSA-N
XLogP2.91
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5E)-N-ethenyl-5-ethylidene-2-phenyl-1,3-oxazol-4-imine?
The IUPAC name of (5E)-N-ethenyl-5-ethylidene-2-phenyl-1,3-oxazol-4-imine (CID 170405322) is (5E)-N-ethenyl-5-ethylidene-2-phenyl-1,3-oxazol-4-imine.
What is the SMILES notation for (5E)-N-ethenyl-5-ethylidene-2-phenyl-1,3-oxazol-4-imine?
The canonical SMILES for (5E)-N-ethenyl-5-ethylidene-2-phenyl-1,3-oxazol-4-imine is C=C/N=C1\N=C(c2ccccc2)O\C1=C\C.
What is the InChIKey of (5E)-N-ethenyl-5-ethylidene-2-phenyl-1,3-oxazol-4-imine?
The InChIKey is QYAYCVJHTLVXKH-JGBGOQPFSA-N. The full InChI is InChI=1S/C13H12N2O/c1-3-11-12(14-4-2)15-13(16-11)10-8-6-5-7-9-10/h3-9H,2H2,1H3/b11-3+,14-12-.
What are the key properties of (5E)-N-ethenyl-5-ethylidene-2-phenyl-1,3-oxazol-4-imine?
(5E)-N-ethenyl-5-ethylidene-2-phenyl-1,3-oxazol-4-imine has a molecular weight of 212.25 g/mol, XLogP of 2.91, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-N-ethenyl-5-ethylidene-2-phenyl-1,3-oxazol-4-imine is sourced from PubChem (CID 170405322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).