1-[3-(1-methoxycyclobutyl)-1,2,4-oxadiazol-5-yl]but-3-yn-1-amine

C11H15N3O2 — CID 116701304

IUPAC1-[3-(1-methoxycyclobutyl)-1,2,4-oxadiazol-5-yl]but-3-yn-1-amine
SMILESC#CCC(N)c1nc(C2(OC)CCC2)no1
InChIInChI=1S/C11H15N3O2/c1-3-5-8(12)9-13-10(14-16-9)11(15-2)6-4-7-11/h1,8H,4-7,12H2,2H3
InChIKeyYVKFTUJNSLJAKL-UHFFFAOYSA-N
MW221.26 g/mol
LogP1.12
Rot. Bonds4

About 1-[3-(1-methoxycyclobutyl)-1,2,4-oxadiazol-5-yl]but-3-yn-1-amine

1-[3-(1-methoxycyclobutyl)-1,2,4-oxadiazol-5-yl]but-3-yn-1-amine (PubChem CID 116701304) has the molecular formula C11H15N3O2 and a molecular weight of 221.26 g/mol. Its IUPAC name is 1-[3-(1-methoxycyclobutyl)-1,2,4-oxadiazol-5-yl]but-3-yn-1-amine.

Molecular Properties

Compound Name1-[3-(1-methoxycyclobutyl)-1,2,4-oxadiazol-5-yl]but-3-yn-1-amine
PubChem CID116701304
Molecular FormulaC11H15N3O2
Molecular Weight221.26 g/mol
Exact Mass221.12
IUPAC Name1-[3-(1-methoxycyclobutyl)-1,2,4-oxadiazol-5-yl]but-3-yn-1-amine
SMILESC#CCC(N)c1nc(C2(OC)CCC2)no1
InChIInChI=1S/C11H15N3O2/c1-3-5-8(12)9-13-10(14-16-9)11(15-2)6-4-7-11/h1,8H,4-7,12H2,2H3
InChIKeyYVKFTUJNSLJAKL-UHFFFAOYSA-N
XLogP1.12
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1-[3-(1-methoxycyclobutyl)-1,2,4-oxadiazol-5-yl]but-3-yn-1-amine 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 1-[3-(1-methoxycyclobutyl)-1,2,4-oxadiazol-5-yl]but-3-yn-1-amine?
The IUPAC name of 1-[3-(1-methoxycyclobutyl)-1,2,4-oxadiazol-5-yl]but-3-yn-1-amine (CID 116701304) is 1-[3-(1-methoxycyclobutyl)-1,2,4-oxadiazol-5-yl]but-3-yn-1-amine.
What is the SMILES notation for 1-[3-(1-methoxycyclobutyl)-1,2,4-oxadiazol-5-yl]but-3-yn-1-amine?
The canonical SMILES for 1-[3-(1-methoxycyclobutyl)-1,2,4-oxadiazol-5-yl]but-3-yn-1-amine is C#CCC(N)c1nc(C2(OC)CCC2)no1.
What is the InChIKey of 1-[3-(1-methoxycyclobutyl)-1,2,4-oxadiazol-5-yl]but-3-yn-1-amine?
The InChIKey is YVKFTUJNSLJAKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2/c1-3-5-8(12)9-13-10(14-16-9)11(15-2)6-4-7-11/h1,8H,4-7,12H2,2H3.
What are the key properties of 1-[3-(1-methoxycyclobutyl)-1,2,4-oxadiazol-5-yl]but-3-yn-1-amine?
1-[3-(1-methoxycyclobutyl)-1,2,4-oxadiazol-5-yl]but-3-yn-1-amine has a molecular weight of 221.26 g/mol, XLogP of 1.12, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(1-methoxycyclobutyl)-1,2,4-oxadiazol-5-yl]but-3-yn-1-amine is sourced from PubChem (CID 116701304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).