5-cyclobutyl-N-[2-(3-methylthiophen-2-yl)ethyl]-1,3,4-oxadiazol-2-amine

C13H17N3OS — CID 72855666

IUPAC5-cyclobutyl-N-[2-(3-methylthiophen-2-yl)ethyl]-1,3,4-oxadiazol-2-amine
SMILESCc1ccsc1CCNc1nnc(C2CCC2)o1
InChIInChI=1S/C13H17N3OS/c1-9-6-8-18-11(9)5-7-14-13-16-15-12(17-13)10-3-2-4-10/h6,8,10H,2-5,7H2,1H3,(H,14,16)
InChIKeyBMYNIHKHUDWZGG-UHFFFAOYSA-N
MW263.37 g/mol
LogP3.36
Rot. Bonds5

About 5-cyclobutyl-N-[2-(3-methylthiophen-2-yl)ethyl]-1,3,4-oxadiazol-2-amine

5-cyclobutyl-N-[2-(3-methylthiophen-2-yl)ethyl]-1,3,4-oxadiazol-2-amine (PubChem CID 72855666) has the molecular formula C13H17N3OS and a molecular weight of 263.37 g/mol. Its IUPAC name is 5-cyclobutyl-N-[2-(3-methylthiophen-2-yl)ethyl]-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-cyclobutyl-N-[2-(3-methylthiophen-2-yl)ethyl]-1,3,4-oxadiazol-2-amine
PubChem CID72855666
Molecular FormulaC13H17N3OS
Molecular Weight263.37 g/mol
Exact Mass263.11
IUPAC Name5-cyclobutyl-N-[2-(3-methylthiophen-2-yl)ethyl]-1,3,4-oxadiazol-2-amine
SMILESCc1ccsc1CCNc1nnc(C2CCC2)o1
InChIInChI=1S/C13H17N3OS/c1-9-6-8-18-11(9)5-7-14-13-16-15-12(17-13)10-3-2-4-10/h6,8,10H,2-5,7H2,1H3,(H,14,16)
InChIKeyBMYNIHKHUDWZGG-UHFFFAOYSA-N
XLogP3.36
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.37
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-cyclobutyl-N-[2-(3-methylthiophen-2-yl)ethyl]-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-cyclobutyl-N-[2-(3-methylthiophen-2-yl)ethyl]-1,3,4-oxadiazol-2-amine (CID 72855666) is 5-cyclobutyl-N-[2-(3-methylthiophen-2-yl)ethyl]-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-cyclobutyl-N-[2-(3-methylthiophen-2-yl)ethyl]-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-cyclobutyl-N-[2-(3-methylthiophen-2-yl)ethyl]-1,3,4-oxadiazol-2-amine is Cc1ccsc1CCNc1nnc(C2CCC2)o1.
What is the InChIKey of 5-cyclobutyl-N-[2-(3-methylthiophen-2-yl)ethyl]-1,3,4-oxadiazol-2-amine?
The InChIKey is BMYNIHKHUDWZGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3OS/c1-9-6-8-18-11(9)5-7-14-13-16-15-12(17-13)10-3-2-4-10/h6,8,10H,2-5,7H2,1H3,(H,14,16).
What are the key properties of 5-cyclobutyl-N-[2-(3-methylthiophen-2-yl)ethyl]-1,3,4-oxadiazol-2-amine?
5-cyclobutyl-N-[2-(3-methylthiophen-2-yl)ethyl]-1,3,4-oxadiazol-2-amine has a molecular weight of 263.37 g/mol, XLogP of 3.36, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclobutyl-N-[2-(3-methylthiophen-2-yl)ethyl]-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 72855666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).