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

C15H17N3O2 — CID 71999088

IUPAC2-methyl-N-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]pent-2-enamide
SMILESCCC=C(C)C(=O)Nc1cccc(-c2nnc(C)o2)c1
InChIInChI=1S/C15H17N3O2/c1-4-6-10(2)14(19)16-13-8-5-7-12(9-13)15-18-17-11(3)20-15/h5-9H,4H2,1-3H3,(H,16,19)
InChIKeyGRUQIJVIDBIQPH-UHFFFAOYSA-N
MW271.32 g/mol
LogP3.34
Rot. Bonds4

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

2-methyl-N-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]pent-2-enamide (PubChem CID 71999088) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is 2-methyl-N-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]pent-2-enamide.

Molecular Properties

Compound Name2-methyl-N-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]pent-2-enamide
PubChem CID71999088
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC Name2-methyl-N-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]pent-2-enamide
SMILESCCC=C(C)C(=O)Nc1cccc(-c2nnc(C)o2)c1
InChIInChI=1S/C15H17N3O2/c1-4-6-10(2)14(19)16-13-8-5-7-12(9-13)15-18-17-11(3)20-15/h5-9H,4H2,1-3H3,(H,16,19)
InChIKeyGRUQIJVIDBIQPH-UHFFFAOYSA-N
XLogP3.34
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 53.34
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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Related Compounds

N-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-2-(3-methylphenyl)acetamide
CID 110725681
3,5-dimethoxy-N-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide
CID 110725637
N-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-3-phenoxypropanamide
CID 110725650
2-(3-methoxyphenyl)-N-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]acetamide
CID 110725688
1-(3-methylphenyl)-3-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]urea
CID 46387996
1-cyclohexyl-3-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]urea
CID 110748367
N-[3-(5-ethylsulfanyl-1,3,4-oxadiazol-2-yl)phenyl]acetamide
CID 3164514
2-methyl-N-(3-nitrophenyl)pent-2-enamide
CID 75895988
N-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide
CID 136528043
2,2-dimethyl-5-[[3-(5-methyl-1,3,4-oxadiazol-2-yl)anilino]methylidene]-1,3-dioxane-4,6-dione
CID 168537513
(Z)-N-(4-anilinophenyl)-2-methylpent-2-enamide
CID 60587211
3-[3-(methylamino)-1-phenylpropoxy]-N-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide
CID 138560027

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]pent-2-enamide?
The IUPAC name of 2-methyl-N-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]pent-2-enamide (CID 71999088) is 2-methyl-N-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]pent-2-enamide.
What is the SMILES notation for 2-methyl-N-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]pent-2-enamide?
The canonical SMILES for 2-methyl-N-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]pent-2-enamide is CCC=C(C)C(=O)Nc1cccc(-c2nnc(C)o2)c1.
What is the InChIKey of 2-methyl-N-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]pent-2-enamide?
The InChIKey is GRUQIJVIDBIQPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2/c1-4-6-10(2)14(19)16-13-8-5-7-12(9-13)15-18-17-11(3)20-15/h5-9H,4H2,1-3H3,(H,16,19).
What are the key properties of 2-methyl-N-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]pent-2-enamide?
2-methyl-N-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]pent-2-enamide has a molecular weight of 271.32 g/mol, XLogP of 3.34, 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-methyl-1,3,4-oxadiazol-2-yl)phenyl]pent-2-enamide is sourced from PubChem (CID 71999088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).