(E)-2-cyano-3-phenyl-N-(5-phenyl-1,3,4-oxadiazol-2-yl)prop-2-enamide

C18H12N4O2 — CID 5469110

IUPAC(E)-2-cyano-3-phenyl-N-(5-phenyl-1,3,4-oxadiazol-2-yl)prop-2-enamide
SMILESN#C/C(=C\c1ccccc1)C(=O)Nc1nnc(-c2ccccc2)o1
InChIInChI=1S/C18H12N4O2/c19-12-15(11-13-7-3-1-4-8-13)16(23)20-18-22-21-17(24-18)14-9-5-2-6-10-14/h1-11H,(H,20,22,23)/b15-11+
InChIKeySTEGJXCAMOUJQP-RVDMUPIBSA-N
MW316.32 g/mol
LogP3.28
Rot. Bonds4

About (E)-2-cyano-3-phenyl-N-(5-phenyl-1,3,4-oxadiazol-2-yl)prop-2-enamide

(E)-2-cyano-3-phenyl-N-(5-phenyl-1,3,4-oxadiazol-2-yl)prop-2-enamide (PubChem CID 5469110) has the molecular formula C18H12N4O2 and a molecular weight of 316.32 g/mol. Its IUPAC name is (E)-2-cyano-3-phenyl-N-(5-phenyl-1,3,4-oxadiazol-2-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-2-cyano-3-phenyl-N-(5-phenyl-1,3,4-oxadiazol-2-yl)prop-2-enamide
PubChem CID5469110
Molecular FormulaC18H12N4O2
Molecular Weight316.32 g/mol
Exact Mass316.10
IUPAC Name(E)-2-cyano-3-phenyl-N-(5-phenyl-1,3,4-oxadiazol-2-yl)prop-2-enamide
SMILESN#C/C(=C\c1ccccc1)C(=O)Nc1nnc(-c2ccccc2)o1
InChIInChI=1S/C18H12N4O2/c19-12-15(11-13-7-3-1-4-8-13)16(23)20-18-22-21-17(24-18)14-9-5-2-6-10-14/h1-11H,(H,20,22,23)/b15-11+
InChIKeySTEGJXCAMOUJQP-RVDMUPIBSA-N
XLogP3.28
TPSA91.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.32
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-2-cyano-3-phenyl-N-(5-phenyl-1,3,4-oxadiazol-2-yl)prop-2-enamide?
The IUPAC name of (E)-2-cyano-3-phenyl-N-(5-phenyl-1,3,4-oxadiazol-2-yl)prop-2-enamide (CID 5469110) is (E)-2-cyano-3-phenyl-N-(5-phenyl-1,3,4-oxadiazol-2-yl)prop-2-enamide.
What is the SMILES notation for (E)-2-cyano-3-phenyl-N-(5-phenyl-1,3,4-oxadiazol-2-yl)prop-2-enamide?
The canonical SMILES for (E)-2-cyano-3-phenyl-N-(5-phenyl-1,3,4-oxadiazol-2-yl)prop-2-enamide is N#C/C(=C\c1ccccc1)C(=O)Nc1nnc(-c2ccccc2)o1.
What is the InChIKey of (E)-2-cyano-3-phenyl-N-(5-phenyl-1,3,4-oxadiazol-2-yl)prop-2-enamide?
The InChIKey is STEGJXCAMOUJQP-RVDMUPIBSA-N. The full InChI is InChI=1S/C18H12N4O2/c19-12-15(11-13-7-3-1-4-8-13)16(23)20-18-22-21-17(24-18)14-9-5-2-6-10-14/h1-11H,(H,20,22,23)/b15-11+.
What are the key properties of (E)-2-cyano-3-phenyl-N-(5-phenyl-1,3,4-oxadiazol-2-yl)prop-2-enamide?
(E)-2-cyano-3-phenyl-N-(5-phenyl-1,3,4-oxadiazol-2-yl)prop-2-enamide has a molecular weight of 316.32 g/mol, XLogP of 3.28, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-cyano-3-phenyl-N-(5-phenyl-1,3,4-oxadiazol-2-yl)prop-2-enamide is sourced from PubChem (CID 5469110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).