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

C12H15N3OS — CID 65402043

IUPAC5-[3-(3-methylcyclopentyl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine
SMILESCC1CCC(c2noc(-c3ccc(N)s3)n2)C1
InChIInChI=1S/C12H15N3OS/c1-7-2-3-8(6-7)11-14-12(16-15-11)9-4-5-10(13)17-9/h4-5,7-8H,2-3,6,13H2,1H3
InChIKeyRAOIMYJSLVMXHA-UHFFFAOYSA-N
MW249.34 g/mol
LogP3.28
Rot. Bonds2

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

5-[3-(3-methylcyclopentyl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine (PubChem CID 65402043) has the molecular formula C12H15N3OS and a molecular weight of 249.34 g/mol. Its IUPAC name is 5-[3-(3-methylcyclopentyl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine.

Molecular Properties

Compound Name5-[3-(3-methylcyclopentyl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine
PubChem CID65402043
Molecular FormulaC12H15N3OS
Molecular Weight249.34 g/mol
Exact Mass249.09
IUPAC Name5-[3-(3-methylcyclopentyl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine
SMILESCC1CCC(c2noc(-c3ccc(N)s3)n2)C1
InChIInChI=1S/C12H15N3OS/c1-7-2-3-8(6-7)11-14-12(16-15-11)9-4-5-10(13)17-9/h4-5,7-8H,2-3,6,13H2,1H3
InChIKeyRAOIMYJSLVMXHA-UHFFFAOYSA-N
XLogP3.28
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.34
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[3-(3-ethylcyclohexyl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine
CID 65401013
3-[3-(3-methylcyclopentyl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine
CID 65400222
5-methyl-3-[3-(3-methylcyclopentyl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine
CID 65401023
4-bromo-2-[3-(3-methylcyclopentyl)-1,2,4-oxadiazol-5-yl]aniline
CID 65400419
4-chloro-2-[3-(3-methylcyclopentyl)-1,2,4-oxadiazol-5-yl]aniline
CID 65401634
3,6-dichloro-2-[3-(3-methylcyclopentyl)-1,2,4-oxadiazol-5-yl]aniline
CID 107050900
3-chloro-2-[3-(3-methylcyclopentyl)-1,2,4-oxadiazol-5-yl]aniline
CID 65401426
[4-methyl-5-[3-(3-methylcyclopentyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-yl]methanamine
CID 65401214
4-[3-(3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-amine
CID 55116401
5-(3-tert-butyl-1,2,4-oxadiazol-5-yl)thiophen-2-amine
CID 43475152
2-bromo-6-[3-(3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]aniline
CID 63113320
2-fluoro-4-[3-(3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]aniline
CID 63188328

Frequently Asked Questions

What is the IUPAC name of 5-[3-(3-methylcyclopentyl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine?
The IUPAC name of 5-[3-(3-methylcyclopentyl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine (CID 65402043) is 5-[3-(3-methylcyclopentyl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine.
What is the SMILES notation for 5-[3-(3-methylcyclopentyl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine?
The canonical SMILES for 5-[3-(3-methylcyclopentyl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine is CC1CCC(c2noc(-c3ccc(N)s3)n2)C1.
What is the InChIKey of 5-[3-(3-methylcyclopentyl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine?
The InChIKey is RAOIMYJSLVMXHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3OS/c1-7-2-3-8(6-7)11-14-12(16-15-11)9-4-5-10(13)17-9/h4-5,7-8H,2-3,6,13H2,1H3.
What are the key properties of 5-[3-(3-methylcyclopentyl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine?
5-[3-(3-methylcyclopentyl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine has a molecular weight of 249.34 g/mol, XLogP of 3.28, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(3-methylcyclopentyl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine is sourced from PubChem (CID 65402043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).