5-cyclobutyl-N-(thiophen-2-ylmethyl)-1,3,4-oxadiazol-2-amine

C11H13N3OS — CID 72853028

IUPAC5-cyclobutyl-N-(thiophen-2-ylmethyl)-1,3,4-oxadiazol-2-amine
SMILESc1csc(CNc2nnc(C3CCC3)o2)c1
InChIInChI=1S/C11H13N3OS/c1-3-8(4-1)10-13-14-11(15-10)12-7-9-5-2-6-16-9/h2,5-6,8H,1,3-4,7H2,(H,12,14)
InChIKeySPCCIFWLFNVZCL-UHFFFAOYSA-N
MW235.31 g/mol
LogP3.01
Rot. Bonds4

About 5-cyclobutyl-N-(thiophen-2-ylmethyl)-1,3,4-oxadiazol-2-amine

5-cyclobutyl-N-(thiophen-2-ylmethyl)-1,3,4-oxadiazol-2-amine (PubChem CID 72853028) has the molecular formula C11H13N3OS and a molecular weight of 235.31 g/mol. Its IUPAC name is 5-cyclobutyl-N-(thiophen-2-ylmethyl)-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-cyclobutyl-N-(thiophen-2-ylmethyl)-1,3,4-oxadiazol-2-amine
PubChem CID72853028
Molecular FormulaC11H13N3OS
Molecular Weight235.31 g/mol
Exact Mass235.08
IUPAC Name5-cyclobutyl-N-(thiophen-2-ylmethyl)-1,3,4-oxadiazol-2-amine
SMILESc1csc(CNc2nnc(C3CCC3)o2)c1
InChIInChI=1S/C11H13N3OS/c1-3-8(4-1)10-13-14-11(15-10)12-7-9-5-2-6-16-9/h2,5-6,8H,1,3-4,7H2,(H,12,14)
InChIKeySPCCIFWLFNVZCL-UHFFFAOYSA-N
XLogP3.01
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.31
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-cyclobutyl-N-(thiophen-2-ylmethyl)-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-cyclobutyl-N-(thiophen-2-ylmethyl)-1,3,4-oxadiazol-2-amine (CID 72853028) is 5-cyclobutyl-N-(thiophen-2-ylmethyl)-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-cyclobutyl-N-(thiophen-2-ylmethyl)-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-cyclobutyl-N-(thiophen-2-ylmethyl)-1,3,4-oxadiazol-2-amine is c1csc(CNc2nnc(C3CCC3)o2)c1.
What is the InChIKey of 5-cyclobutyl-N-(thiophen-2-ylmethyl)-1,3,4-oxadiazol-2-amine?
The InChIKey is SPCCIFWLFNVZCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3OS/c1-3-8(4-1)10-13-14-11(15-10)12-7-9-5-2-6-16-9/h2,5-6,8H,1,3-4,7H2,(H,12,14).
What are the key properties of 5-cyclobutyl-N-(thiophen-2-ylmethyl)-1,3,4-oxadiazol-2-amine?
5-cyclobutyl-N-(thiophen-2-ylmethyl)-1,3,4-oxadiazol-2-amine has a molecular weight of 235.31 g/mol, XLogP of 3.01, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclobutyl-N-(thiophen-2-ylmethyl)-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 72853028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).