1-(5-methyl-1,3,4-oxadiazol-2-yl)but-3-en-1-amine

C7H11N3O — CID 130150283

IUPAC1-(5-methyl-1,3,4-oxadiazol-2-yl)but-3-en-1-amine
SMILESC=CCC(N)c1nnc(C)o1
InChIInChI=1S/C7H11N3O/c1-3-4-6(8)7-10-9-5(2)11-7/h3,6H,1,4,8H2,2H3
InChIKeyOIYQQTNPAXXSMT-UHFFFAOYSA-N
MW153.18 g/mol
LogP0.95
Rot. Bonds3

About 1-(5-methyl-1,3,4-oxadiazol-2-yl)but-3-en-1-amine

1-(5-methyl-1,3,4-oxadiazol-2-yl)but-3-en-1-amine (PubChem CID 130150283) has the molecular formula C7H11N3O and a molecular weight of 153.18 g/mol. Its IUPAC name is 1-(5-methyl-1,3,4-oxadiazol-2-yl)but-3-en-1-amine.

Molecular Properties

Compound Name1-(5-methyl-1,3,4-oxadiazol-2-yl)but-3-en-1-amine
PubChem CID130150283
Molecular FormulaC7H11N3O
Molecular Weight153.18 g/mol
Exact Mass153.09
IUPAC Name1-(5-methyl-1,3,4-oxadiazol-2-yl)but-3-en-1-amine
SMILESC=CCC(N)c1nnc(C)o1
InChIInChI=1S/C7H11N3O/c1-3-4-6(8)7-10-9-5(2)11-7/h3,6H,1,4,8H2,2H3
InChIKeyOIYQQTNPAXXSMT-UHFFFAOYSA-N
XLogP0.95
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.18
LogP ≤ 50.95
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 1-(5-methyl-1,3,4-oxadiazol-2-yl)but-3-en-1-amine?
The IUPAC name of 1-(5-methyl-1,3,4-oxadiazol-2-yl)but-3-en-1-amine (CID 130150283) is 1-(5-methyl-1,3,4-oxadiazol-2-yl)but-3-en-1-amine.
What is the SMILES notation for 1-(5-methyl-1,3,4-oxadiazol-2-yl)but-3-en-1-amine?
The canonical SMILES for 1-(5-methyl-1,3,4-oxadiazol-2-yl)but-3-en-1-amine is C=CCC(N)c1nnc(C)o1.
What is the InChIKey of 1-(5-methyl-1,3,4-oxadiazol-2-yl)but-3-en-1-amine?
The InChIKey is OIYQQTNPAXXSMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O/c1-3-4-6(8)7-10-9-5(2)11-7/h3,6H,1,4,8H2,2H3.
What are the key properties of 1-(5-methyl-1,3,4-oxadiazol-2-yl)but-3-en-1-amine?
1-(5-methyl-1,3,4-oxadiazol-2-yl)but-3-en-1-amine has a molecular weight of 153.18 g/mol, XLogP of 0.95, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methyl-1,3,4-oxadiazol-2-yl)but-3-en-1-amine is sourced from PubChem (CID 130150283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).