[3-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]-thiophen-2-ylmethanamine

C12H15N3O2S — CID 113278812

IUPAC[3-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]-thiophen-2-ylmethanamine
SMILESNC(c1nc(CC2CCCO2)no1)c1cccs1
InChIInChI=1S/C12H15N3O2S/c13-11(9-4-2-6-18-9)12-14-10(15-17-12)7-8-3-1-5-16-8/h2,4,6,8,11H,1,3,5,7,13H2
InChIKeyOVGHJNFBPHFJCD-UHFFFAOYSA-N
MW265.34 g/mol
LogP1.90
Rot. Bonds4

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

[3-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]-thiophen-2-ylmethanamine (PubChem CID 113278812) has the molecular formula C12H15N3O2S and a molecular weight of 265.34 g/mol. Its IUPAC name is [3-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]-thiophen-2-ylmethanamine.

Molecular Properties

Compound Name[3-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]-thiophen-2-ylmethanamine
PubChem CID113278812
Molecular FormulaC12H15N3O2S
Molecular Weight265.34 g/mol
Exact Mass265.09
IUPAC Name[3-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]-thiophen-2-ylmethanamine
SMILESNC(c1nc(CC2CCCO2)no1)c1cccs1
InChIInChI=1S/C12H15N3O2S/c13-11(9-4-2-6-18-9)12-14-10(15-17-12)7-8-3-1-5-16-8/h2,4,6,8,11H,1,3,5,7,13H2
InChIKeyOVGHJNFBPHFJCD-UHFFFAOYSA-N
XLogP1.90
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.34
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(1R)-1-[3-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 104915241
(3-butyl-1,2,4-oxadiazol-5-yl)-thiophen-2-ylmethanamine
CID 115285006
2,2-dimethyl-1-[3-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 43470381
(3-cyclooctyl-1,2,4-oxadiazol-5-yl)-thiophen-2-ylmethanamine
CID 115285024
[3-[(3,5-difluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-thiophen-2-ylmethanamine
CID 115284923
[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]-thiophen-2-ylmethanamine
CID 115285007
3-amino-1-[3-(oxan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]propan-1-ol
CID 107837262
N,4-dimethyl-3-[3-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine
CID 63347217
2-[3-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]propan-2-amine
CID 61265926
[3-(4-ethylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]-thiophen-2-ylmethanamine
CID 115285009
2-[3-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]pentan-3-one
CID 63561422
[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-thiophen-2-ylmethanamine
CID 115285012

Frequently Asked Questions

What is the IUPAC name of [3-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]-thiophen-2-ylmethanamine?
The IUPAC name of [3-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]-thiophen-2-ylmethanamine (CID 113278812) is [3-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]-thiophen-2-ylmethanamine.
What is the SMILES notation for [3-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]-thiophen-2-ylmethanamine?
The canonical SMILES for [3-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]-thiophen-2-ylmethanamine is NC(c1nc(CC2CCCO2)no1)c1cccs1.
What is the InChIKey of [3-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]-thiophen-2-ylmethanamine?
The InChIKey is OVGHJNFBPHFJCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2S/c13-11(9-4-2-6-18-9)12-14-10(15-17-12)7-8-3-1-5-16-8/h2,4,6,8,11H,1,3,5,7,13H2.
What are the key properties of [3-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]-thiophen-2-ylmethanamine?
[3-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]-thiophen-2-ylmethanamine has a molecular weight of 265.34 g/mol, XLogP of 1.90, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]-thiophen-2-ylmethanamine is sourced from PubChem (CID 113278812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).