2-methyl-N-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]prop-2-enamide

C18H15N3O2 — CID 71349165

IUPAC2-methyl-N-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]prop-2-enamide
SMILESC=C(C)C(=O)Nc1cccc(-c2nnc(-c3ccccc3)o2)c1
InChIInChI=1S/C18H15N3O2/c1-12(2)16(22)19-15-10-6-9-14(11-15)18-21-20-17(23-18)13-7-4-3-5-8-13/h3-11H,1H2,2H3,(H,19,22)
InChIKeyGBXFONQBYOPLAS-UHFFFAOYSA-N
MW305.34 g/mol
LogP3.92
Rot. Bonds4

About 2-methyl-N-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]prop-2-enamide

2-methyl-N-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]prop-2-enamide (PubChem CID 71349165) has the molecular formula C18H15N3O2 and a molecular weight of 305.34 g/mol. Its IUPAC name is 2-methyl-N-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]prop-2-enamide.

Molecular Properties

Compound Name2-methyl-N-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]prop-2-enamide
PubChem CID71349165
Molecular FormulaC18H15N3O2
Molecular Weight305.34 g/mol
Exact Mass305.12
IUPAC Name2-methyl-N-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]prop-2-enamide
SMILESC=C(C)C(=O)Nc1cccc(-c2nnc(-c3ccccc3)o2)c1
InChIInChI=1S/C18H15N3O2/c1-12(2)16(22)19-15-10-6-9-14(11-15)18-21-20-17(23-18)13-7-4-3-5-8-13/h3-11H,1H2,2H3,(H,19,22)
InChIKeyGBXFONQBYOPLAS-UHFFFAOYSA-N
XLogP3.92
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.34
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]prop-2-enamide?
The IUPAC name of 2-methyl-N-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]prop-2-enamide (CID 71349165) is 2-methyl-N-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]prop-2-enamide.
What is the SMILES notation for 2-methyl-N-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]prop-2-enamide?
The canonical SMILES for 2-methyl-N-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]prop-2-enamide is C=C(C)C(=O)Nc1cccc(-c2nnc(-c3ccccc3)o2)c1.
What is the InChIKey of 2-methyl-N-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]prop-2-enamide?
The InChIKey is GBXFONQBYOPLAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O2/c1-12(2)16(22)19-15-10-6-9-14(11-15)18-21-20-17(23-18)13-7-4-3-5-8-13/h3-11H,1H2,2H3,(H,19,22).
What are the key properties of 2-methyl-N-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]prop-2-enamide?
2-methyl-N-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]prop-2-enamide has a molecular weight of 305.34 g/mol, XLogP of 3.92, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]prop-2-enamide is sourced from PubChem (CID 71349165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).