[1-[3-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-5-yl]cyclopropyl]methanamine

C11H13N3OS — CID 115450888

IUPAC[1-[3-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-5-yl]cyclopropyl]methanamine
SMILESNCC1(c2nc(Cc3cccs3)no2)CC1
InChIInChI=1S/C11H13N3OS/c12-7-11(3-4-11)10-13-9(14-15-10)6-8-2-1-5-16-8/h1-2,5H,3-4,6-7,12H2
InChIKeyOAAPRZICASDUBM-UHFFFAOYSA-N
MW235.31 g/mol
LogP1.71
Rot. Bonds4

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

[1-[3-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-5-yl]cyclopropyl]methanamine (PubChem CID 115450888) has the molecular formula C11H13N3OS and a molecular weight of 235.31 g/mol. Its IUPAC name is [1-[3-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-5-yl]cyclopropyl]methanamine.

Molecular Properties

Compound Name[1-[3-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-5-yl]cyclopropyl]methanamine
PubChem CID115450888
Molecular FormulaC11H13N3OS
Molecular Weight235.31 g/mol
Exact Mass235.08
IUPAC Name[1-[3-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-5-yl]cyclopropyl]methanamine
SMILESNCC1(c2nc(Cc3cccs3)no2)CC1
InChIInChI=1S/C11H13N3OS/c12-7-11(3-4-11)10-13-9(14-15-10)6-8-2-1-5-16-8/h1-2,5H,3-4,6-7,12H2
InChIKeyOAAPRZICASDUBM-UHFFFAOYSA-N
XLogP1.71
TPSA64.94 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 ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[4-[3-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-5-yl]oxan-4-yl]methanamine
CID 115440137
1-[3-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-5-yl]cyclopropan-1-amine;hydrochloride
CID 119947992
1-[3-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine
CID 62503204
[1-(3-ethyl-1,2,4-oxadiazol-5-yl)cyclopropyl]methanamine
CID 115450843
5-(3-propan-2-ylpyrrolidin-3-yl)-3-(thiophen-2-ylmethyl)-1,2,4-oxadiazole
CID 106983380
[1-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]cyclopentyl]methanamine;hydrochloride
CID 119947677
[1-[3-[(3-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclopentyl]methanamine
CID 115433724
[1-[3-[(4-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclohexyl]methanamine
CID 115436481
5-phenyl-3-(thiophen-2-ylmethyl)-1,2,4-oxadiazole
CID 162656743
(1R)-1-[3-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 94458021
[4-methyl-1-[3-(pyridin-2-ylmethyl)-1,2,4-oxadiazol-5-yl]cyclohexyl]methanamine
CID 115442764
4-[3-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-one
CID 55201047

Frequently Asked Questions

What is the IUPAC name of [1-[3-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-5-yl]cyclopropyl]methanamine?
The IUPAC name of [1-[3-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-5-yl]cyclopropyl]methanamine (CID 115450888) is [1-[3-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-5-yl]cyclopropyl]methanamine.
What is the SMILES notation for [1-[3-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-5-yl]cyclopropyl]methanamine?
The canonical SMILES for [1-[3-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-5-yl]cyclopropyl]methanamine is NCC1(c2nc(Cc3cccs3)no2)CC1.
What is the InChIKey of [1-[3-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-5-yl]cyclopropyl]methanamine?
The InChIKey is OAAPRZICASDUBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3OS/c12-7-11(3-4-11)10-13-9(14-15-10)6-8-2-1-5-16-8/h1-2,5H,3-4,6-7,12H2.
What are the key properties of [1-[3-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-5-yl]cyclopropyl]methanamine?
[1-[3-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-5-yl]cyclopropyl]methanamine has a molecular weight of 235.31 g/mol, XLogP of 1.71, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[3-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-5-yl]cyclopropyl]methanamine is sourced from PubChem (CID 115450888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).