2-[3-(3-ethylcyclopentyl)-1,2,4-oxadiazol-5-yl]-4-methylthiophen-3-amine

C14H19N3OS — CID 114915948

IUPAC2-[3-(3-ethylcyclopentyl)-1,2,4-oxadiazol-5-yl]-4-methylthiophen-3-amine
SMILESCCC1CCC(c2noc(-c3scc(C)c3N)n2)C1
InChIInChI=1S/C14H19N3OS/c1-3-9-4-5-10(6-9)13-16-14(18-17-13)12-11(15)8(2)7-19-12/h7,9-10H,3-6,15H2,1-2H3
InChIKeyPCBBFFAJYXEUNQ-UHFFFAOYSA-N
MW277.39 g/mol
LogP3.98
Rot. Bonds3

About 2-[3-(3-ethylcyclopentyl)-1,2,4-oxadiazol-5-yl]-4-methylthiophen-3-amine

2-[3-(3-ethylcyclopentyl)-1,2,4-oxadiazol-5-yl]-4-methylthiophen-3-amine (PubChem CID 114915948) has the molecular formula C14H19N3OS and a molecular weight of 277.39 g/mol. Its IUPAC name is 2-[3-(3-ethylcyclopentyl)-1,2,4-oxadiazol-5-yl]-4-methylthiophen-3-amine.

Molecular Properties

Compound Name2-[3-(3-ethylcyclopentyl)-1,2,4-oxadiazol-5-yl]-4-methylthiophen-3-amine
PubChem CID114915948
Molecular FormulaC14H19N3OS
Molecular Weight277.39 g/mol
Exact Mass277.12
IUPAC Name2-[3-(3-ethylcyclopentyl)-1,2,4-oxadiazol-5-yl]-4-methylthiophen-3-amine
SMILESCCC1CCC(c2noc(-c3scc(C)c3N)n2)C1
InChIInChI=1S/C14H19N3OS/c1-3-9-4-5-10(6-9)13-16-14(18-17-13)12-11(15)8(2)7-19-12/h7,9-10H,3-6,15H2,1-2H3
InChIKeyPCBBFFAJYXEUNQ-UHFFFAOYSA-N
XLogP3.98
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[3-(3-ethylcyclopentyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-amine
CID 65414293
2-[3-(3-ethylcyclopentyl)-1,2,4-oxadiazol-5-yl]-4,6-dimethylaniline
CID 65413071
5-[3-(4-ethylcyclohexyl)-1,2,4-oxadiazol-5-yl]-4-methylthiophen-2-amine
CID 65395546
5-[3-(3-ethylcyclopentyl)-1,2,4-oxadiazol-5-yl]-2-methylaniline
CID 65412668
3-[3-(3-ethylcyclopentyl)-1,2,4-oxadiazol-5-yl]-4,5-dimethylthiophen-2-amine
CID 65412664
2-[3-(3-ethylcyclopentyl)-1,2,4-oxadiazol-5-yl]-3-fluoroaniline
CID 65414294
4-[3-(3-ethylcyclohexyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-amine
CID 65400403
2-chloro-6-[3-(3-ethylcyclopentyl)-1,2,4-oxadiazol-5-yl]aniline
CID 107050902
4-chloro-3-[3-(3-ethylcyclopentyl)-1,2,4-oxadiazol-5-yl]aniline
CID 65412866
2-[4-[3-(3-ethylcyclopentyl)-1,2,4-oxadiazol-5-yl]phenyl]ethanamine
CID 65415299
4-[3-(3-ethylcyclopentyl)-1,2,4-oxadiazol-5-yl]-3-methylbenzonitrile
CID 106524958
4-[3-(3-ethylcyclopentyl)-1,2,4-oxadiazol-5-yl]benzene-1,3-diol
CID 136904152

Frequently Asked Questions

What is the IUPAC name of 2-[3-(3-ethylcyclopentyl)-1,2,4-oxadiazol-5-yl]-4-methylthiophen-3-amine?
The IUPAC name of 2-[3-(3-ethylcyclopentyl)-1,2,4-oxadiazol-5-yl]-4-methylthiophen-3-amine (CID 114915948) is 2-[3-(3-ethylcyclopentyl)-1,2,4-oxadiazol-5-yl]-4-methylthiophen-3-amine.
What is the SMILES notation for 2-[3-(3-ethylcyclopentyl)-1,2,4-oxadiazol-5-yl]-4-methylthiophen-3-amine?
The canonical SMILES for 2-[3-(3-ethylcyclopentyl)-1,2,4-oxadiazol-5-yl]-4-methylthiophen-3-amine is CCC1CCC(c2noc(-c3scc(C)c3N)n2)C1.
What is the InChIKey of 2-[3-(3-ethylcyclopentyl)-1,2,4-oxadiazol-5-yl]-4-methylthiophen-3-amine?
The InChIKey is PCBBFFAJYXEUNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3OS/c1-3-9-4-5-10(6-9)13-16-14(18-17-13)12-11(15)8(2)7-19-12/h7,9-10H,3-6,15H2,1-2H3.
What are the key properties of 2-[3-(3-ethylcyclopentyl)-1,2,4-oxadiazol-5-yl]-4-methylthiophen-3-amine?
2-[3-(3-ethylcyclopentyl)-1,2,4-oxadiazol-5-yl]-4-methylthiophen-3-amine has a molecular weight of 277.39 g/mol, XLogP of 3.98, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3-ethylcyclopentyl)-1,2,4-oxadiazol-5-yl]-4-methylthiophen-3-amine is sourced from PubChem (CID 114915948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).