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

C10H13N3O2S — CID 115285007

IUPAC[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]-thiophen-2-ylmethanamine
SMILESCOC(C)c1noc(C(N)c2cccs2)n1
InChIInChI=1S/C10H13N3O2S/c1-6(14-2)9-12-10(15-13-9)8(11)7-4-3-5-16-7/h3-6,8H,11H2,1-2H3
InChIKeyCVHCISIWTOZPMV-UHFFFAOYSA-N
MW239.30 g/mol
LogP1.89
Rot. Bonds4

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

[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]-thiophen-2-ylmethanamine (PubChem CID 115285007) has the molecular formula C10H13N3O2S and a molecular weight of 239.30 g/mol. Its IUPAC name is [3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]-thiophen-2-ylmethanamine.

Molecular Properties

Compound Name[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]-thiophen-2-ylmethanamine
PubChem CID115285007
Molecular FormulaC10H13N3O2S
Molecular Weight239.30 g/mol
Exact Mass239.07
IUPAC Name[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]-thiophen-2-ylmethanamine
SMILESCOC(C)c1noc(C(N)c2cccs2)n1
InChIInChI=1S/C10H13N3O2S/c1-6(14-2)9-12-10(15-13-9)8(11)7-4-3-5-16-7/h3-6,8H,11H2,1-2H3
InChIKeyCVHCISIWTOZPMV-UHFFFAOYSA-N
XLogP1.89
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.30
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]-thiophen-2-ylmethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3-butyl-1,2,4-oxadiazol-5-yl)-thiophen-2-ylmethanamine
CID 115285006
(1S)-1-[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]-2-methylbutan-1-amine
CID 104900222
(1S)-1-[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]ethanol
CID 79604650
[3-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]-thiophen-2-ylmethanamine
CID 113278812
3-amino-3-[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]propan-1-ol
CID 79614154
[3-[(3,5-difluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-thiophen-2-ylmethanamine
CID 115284923
(3-cyclooctyl-1,2,4-oxadiazol-5-yl)-thiophen-2-ylmethanamine
CID 115285024
[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]-thiophen-2-ylmethanamine
CID 115284891
[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-thiophen-2-ylmethanamine
CID 115285012
3-[5-[amino(thiophen-2-yl)methyl]-1,2,4-oxadiazol-3-yl]phenol
CID 107921115
[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]-thiophen-2-ylmethanamine
CID 115284912
5-(diethoxymethyl)-3-(1-methoxyethyl)-1,2,4-oxadiazole
CID 79605448

Frequently Asked Questions

What is the IUPAC name of [3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]-thiophen-2-ylmethanamine?
The IUPAC name of [3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]-thiophen-2-ylmethanamine (CID 115285007) is [3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]-thiophen-2-ylmethanamine.
What is the SMILES notation for [3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]-thiophen-2-ylmethanamine?
The canonical SMILES for [3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]-thiophen-2-ylmethanamine is COC(C)c1noc(C(N)c2cccs2)n1.
What is the InChIKey of [3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]-thiophen-2-ylmethanamine?
The InChIKey is CVHCISIWTOZPMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O2S/c1-6(14-2)9-12-10(15-13-9)8(11)7-4-3-5-16-7/h3-6,8H,11H2,1-2H3.
What are the key properties of [3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]-thiophen-2-ylmethanamine?
[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]-thiophen-2-ylmethanamine has a molecular weight of 239.30 g/mol, XLogP of 1.89, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]-thiophen-2-ylmethanamine is sourced from PubChem (CID 115285007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).