1-cyclobutyloxy-2-(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)propan-2-amine

C13H17N3O2S — CID 104637444

IUPAC1-cyclobutyloxy-2-(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)propan-2-amine
SMILESCC(N)(COC1CCC1)c1noc(-c2ccsc2)n1
InChIInChI=1S/C13H17N3O2S/c1-13(14,8-17-10-3-2-4-10)12-15-11(18-16-12)9-5-6-19-7-9/h5-7,10H,2-4,8,14H2,1H3
InChIKeyJOFQPYQPWMNBAG-UHFFFAOYSA-N
MW279.36 g/mol
LogP2.54
Rot. Bonds5

About 1-cyclobutyloxy-2-(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)propan-2-amine

1-cyclobutyloxy-2-(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)propan-2-amine (PubChem CID 104637444) has the molecular formula C13H17N3O2S and a molecular weight of 279.36 g/mol. Its IUPAC name is 1-cyclobutyloxy-2-(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)propan-2-amine.

Molecular Properties

Compound Name1-cyclobutyloxy-2-(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)propan-2-amine
PubChem CID104637444
Molecular FormulaC13H17N3O2S
Molecular Weight279.36 g/mol
Exact Mass279.10
IUPAC Name1-cyclobutyloxy-2-(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)propan-2-amine
SMILESCC(N)(COC1CCC1)c1noc(-c2ccsc2)n1
InChIInChI=1S/C13H17N3O2S/c1-13(14,8-17-10-3-2-4-10)12-15-11(18-16-12)9-5-6-19-7-9/h5-7,10H,2-4,8,14H2,1H3
InChIKeyJOFQPYQPWMNBAG-UHFFFAOYSA-N
XLogP2.54
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.36
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyloxy-2-(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)propan-2-amine?
The IUPAC name of 1-cyclobutyloxy-2-(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)propan-2-amine (CID 104637444) is 1-cyclobutyloxy-2-(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)propan-2-amine.
What is the SMILES notation for 1-cyclobutyloxy-2-(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)propan-2-amine?
The canonical SMILES for 1-cyclobutyloxy-2-(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)propan-2-amine is CC(N)(COC1CCC1)c1noc(-c2ccsc2)n1.
What is the InChIKey of 1-cyclobutyloxy-2-(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)propan-2-amine?
The InChIKey is JOFQPYQPWMNBAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2S/c1-13(14,8-17-10-3-2-4-10)12-15-11(18-16-12)9-5-6-19-7-9/h5-7,10H,2-4,8,14H2,1H3.
What are the key properties of 1-cyclobutyloxy-2-(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)propan-2-amine?
1-cyclobutyloxy-2-(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)propan-2-amine has a molecular weight of 279.36 g/mol, XLogP of 2.54, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyloxy-2-(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)propan-2-amine is sourced from PubChem (CID 104637444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).