5-[3-(oxan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine

C12H15N3O2S — CID 113391152

IUPAC5-[3-(oxan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine
SMILESNc1ccc(-c2nc(CC3CCCCO3)no2)s1
InChIInChI=1S/C12H15N3O2S/c13-10-5-4-9(18-10)12-14-11(15-17-12)7-8-3-1-2-6-16-8/h4-5,8H,1-3,6-7,13H2
InChIKeyCGDWZNCUDWMVPZ-UHFFFAOYSA-N
MW265.34 g/mol
LogP2.49
Rot. Bonds3

About 5-[3-(oxan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine

5-[3-(oxan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine (PubChem CID 113391152) has the molecular formula C12H15N3O2S and a molecular weight of 265.34 g/mol. Its IUPAC name is 5-[3-(oxan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine.

Molecular Properties

Compound Name5-[3-(oxan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine
PubChem CID113391152
Molecular FormulaC12H15N3O2S
Molecular Weight265.34 g/mol
Exact Mass265.09
IUPAC Name5-[3-(oxan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine
SMILESNc1ccc(-c2nc(CC3CCCCO3)no2)s1
InChIInChI=1S/C12H15N3O2S/c13-10-5-4-9(18-10)12-14-11(15-17-12)7-8-3-1-2-6-16-8/h4-5,8H,1-3,6-7,13H2
InChIKeyCGDWZNCUDWMVPZ-UHFFFAOYSA-N
XLogP2.49
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.34
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[3-(oxan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine?
The IUPAC name of 5-[3-(oxan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine (CID 113391152) is 5-[3-(oxan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine.
What is the SMILES notation for 5-[3-(oxan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine?
The canonical SMILES for 5-[3-(oxan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine is Nc1ccc(-c2nc(CC3CCCCO3)no2)s1.
What is the InChIKey of 5-[3-(oxan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine?
The InChIKey is CGDWZNCUDWMVPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2S/c13-10-5-4-9(18-10)12-14-11(15-17-12)7-8-3-1-2-6-16-8/h4-5,8H,1-3,6-7,13H2.
What are the key properties of 5-[3-(oxan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine?
5-[3-(oxan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine has a molecular weight of 265.34 g/mol, XLogP of 2.49, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(oxan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine is sourced from PubChem (CID 113391152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).