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

C8H13N3O — CID 62331516

IUPAC2-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]prop-2-en-1-amine
SMILESC=C(C)CNCc1nc(C)no1
InChIInChI=1S/C8H13N3O/c1-6(2)4-9-5-8-10-7(3)11-12-8/h9H,1,4-5H2,2-3H3
InChIKeyACFIZASQLHJFFX-UHFFFAOYSA-N
MW167.21 g/mol
LogP1.04
Rot. Bonds4

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

2-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]prop-2-en-1-amine (PubChem CID 62331516) has the molecular formula C8H13N3O and a molecular weight of 167.21 g/mol. Its IUPAC name is 2-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]prop-2-en-1-amine.

Molecular Properties

Compound Name2-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]prop-2-en-1-amine
PubChem CID62331516
Molecular FormulaC8H13N3O
Molecular Weight167.21 g/mol
Exact Mass167.11
IUPAC Name2-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]prop-2-en-1-amine
SMILESC=C(C)CNCc1nc(C)no1
InChIInChI=1S/C8H13N3O/c1-6(2)4-9-5-8-10-7(3)11-12-8/h9H,1,4-5H2,2-3H3
InChIKeyACFIZASQLHJFFX-UHFFFAOYSA-N
XLogP1.04
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]prop-2-en-1-amine?
The IUPAC name of 2-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]prop-2-en-1-amine (CID 62331516) is 2-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]prop-2-en-1-amine.
What is the SMILES notation for 2-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]prop-2-en-1-amine?
The canonical SMILES for 2-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]prop-2-en-1-amine is C=C(C)CNCc1nc(C)no1.
What is the InChIKey of 2-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]prop-2-en-1-amine?
The InChIKey is ACFIZASQLHJFFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O/c1-6(2)4-9-5-8-10-7(3)11-12-8/h9H,1,4-5H2,2-3H3.
What are the key properties of 2-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]prop-2-en-1-amine?
2-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]prop-2-en-1-amine has a molecular weight of 167.21 g/mol, XLogP of 1.04, 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-methyl-1,2,4-oxadiazol-5-yl)methyl]prop-2-en-1-amine is sourced from PubChem (CID 62331516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).