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

C10H11N3O2S — CID 64888822

IUPAC3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)oxolan-3-amine
SMILESNC1(c2nc(-c3ccsc3)no2)CCOC1
InChIInChI=1S/C10H11N3O2S/c11-10(2-3-14-6-10)9-12-8(13-15-9)7-1-4-16-5-7/h1,4-5H,2-3,6,11H2
InChIKeyAXQHXLTWCPEOFG-UHFFFAOYSA-N
MW237.28 g/mol
LogP1.37
Rot. Bonds2

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

3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)oxolan-3-amine (PubChem CID 64888822) has the molecular formula C10H11N3O2S and a molecular weight of 237.28 g/mol. Its IUPAC name is 3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)oxolan-3-amine.

Molecular Properties

Compound Name3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)oxolan-3-amine
PubChem CID64888822
Molecular FormulaC10H11N3O2S
Molecular Weight237.28 g/mol
Exact Mass237.06
IUPAC Name3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)oxolan-3-amine
SMILESNC1(c2nc(-c3ccsc3)no2)CCOC1
InChIInChI=1S/C10H11N3O2S/c11-10(2-3-14-6-10)9-12-8(13-15-9)7-1-4-16-5-7/h1,4-5H,2-3,6,11H2
InChIKeyAXQHXLTWCPEOFG-UHFFFAOYSA-N
XLogP1.37
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.28
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)oxolan-3-amine?
The IUPAC name of 3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)oxolan-3-amine (CID 64888822) is 3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)oxolan-3-amine.
What is the SMILES notation for 3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)oxolan-3-amine?
The canonical SMILES for 3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)oxolan-3-amine is NC1(c2nc(-c3ccsc3)no2)CCOC1.
What is the InChIKey of 3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)oxolan-3-amine?
The InChIKey is AXQHXLTWCPEOFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O2S/c11-10(2-3-14-6-10)9-12-8(13-15-9)7-1-4-16-5-7/h1,4-5H,2-3,6,11H2.
What are the key properties of 3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)oxolan-3-amine?
3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)oxolan-3-amine has a molecular weight of 237.28 g/mol, XLogP of 1.37, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)oxolan-3-amine is sourced from PubChem (CID 64888822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).