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

C14H23N3O2 — CID 71881648

IUPAC2-methyl-N-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]pent-2-enamide
SMILESCCC=C(C)C(=O)NCCCc1nc(C(C)C)no1
InChIInChI=1S/C14H23N3O2/c1-5-7-11(4)14(18)15-9-6-8-12-16-13(10(2)3)17-19-12/h7,10H,5-6,8-9H2,1-4H3,(H,15,18)
InChIKeyOEOJUUSMMWTSDN-UHFFFAOYSA-N
MW265.36 g/mol
LogP2.60
Rot. Bonds7

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

2-methyl-N-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]pent-2-enamide (PubChem CID 71881648) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is 2-methyl-N-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]pent-2-enamide.

Molecular Properties

Compound Name2-methyl-N-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]pent-2-enamide
PubChem CID71881648
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name2-methyl-N-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]pent-2-enamide
SMILESCCC=C(C)C(=O)NCCCc1nc(C(C)C)no1
InChIInChI=1S/C14H23N3O2/c1-5-7-11(4)14(18)15-9-6-8-12-16-13(10(2)3)17-19-12/h7,10H,5-6,8-9H2,1-4H3,(H,15,18)
InChIKeyOEOJUUSMMWTSDN-UHFFFAOYSA-N
XLogP2.60
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-methyl-N-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]pent-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]pent-2-enamide?
The IUPAC name of 2-methyl-N-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]pent-2-enamide (CID 71881648) is 2-methyl-N-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]pent-2-enamide.
What is the SMILES notation for 2-methyl-N-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]pent-2-enamide?
The canonical SMILES for 2-methyl-N-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]pent-2-enamide is CCC=C(C)C(=O)NCCCc1nc(C(C)C)no1.
What is the InChIKey of 2-methyl-N-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]pent-2-enamide?
The InChIKey is OEOJUUSMMWTSDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-5-7-11(4)14(18)15-9-6-8-12-16-13(10(2)3)17-19-12/h7,10H,5-6,8-9H2,1-4H3,(H,15,18).
What are the key properties of 2-methyl-N-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]pent-2-enamide?
2-methyl-N-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]pent-2-enamide has a molecular weight of 265.36 g/mol, XLogP of 2.60, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]pent-2-enamide is sourced from PubChem (CID 71881648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).