4-[3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-yl]-N-methylthiolan-3-amine

C13H21N3O2S — CID 104612006

IUPAC4-[3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-yl]-N-methylthiolan-3-amine
SMILESCNC1CSCC1c1nc(C2(OC)CCCC2)no1
InChIInChI=1S/C13H21N3O2S/c1-14-10-8-19-7-9(10)11-15-12(16-18-11)13(17-2)5-3-4-6-13/h9-10,14H,3-8H2,1-2H3
InChIKeyGATSLZWSSMFRCO-UHFFFAOYSA-N
MW283.40 g/mol
LogP1.90
Rot. Bonds4

About 4-[3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-yl]-N-methylthiolan-3-amine

4-[3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-yl]-N-methylthiolan-3-amine (PubChem CID 104612006) has the molecular formula C13H21N3O2S and a molecular weight of 283.40 g/mol. Its IUPAC name is 4-[3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-yl]-N-methylthiolan-3-amine.

Molecular Properties

Compound Name4-[3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-yl]-N-methylthiolan-3-amine
PubChem CID104612006
Molecular FormulaC13H21N3O2S
Molecular Weight283.40 g/mol
Exact Mass283.14
IUPAC Name4-[3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-yl]-N-methylthiolan-3-amine
SMILESCNC1CSCC1c1nc(C2(OC)CCCC2)no1
InChIInChI=1S/C13H21N3O2S/c1-14-10-8-19-7-9(10)11-15-12(16-18-11)13(17-2)5-3-4-6-13/h9-10,14H,3-8H2,1-2H3
InChIKeyGATSLZWSSMFRCO-UHFFFAOYSA-N
XLogP1.90
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.40
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-yl]-N-methyloxan-4-amine
CID 106474680
2-[3-(4-methoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]-N-methylcyclohexan-1-amine
CID 116781300
4-[3-(1-methoxy-4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]thiolan-3-amine
CID 116781338
3-(1-methoxycyclopentyl)-5-(4-methylpyrrolidin-3-yl)-1,2,4-oxadiazole
CID 104609747
N-ethyl-2-[3-(1-methoxycyclobutyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine
CID 116733049
4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-methylthiolan-3-amine
CID 83201312
N-methyl-4-(3-pyrrolidin-1-yl-1,2,4-oxadiazol-5-yl)thiolan-3-amine
CID 116809129
N-methyl-4-(3-propyl-1,2,4-oxadiazol-5-yl)thiolan-3-amine
CID 83201061
3-[3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-yl]cyclobutan-1-ol
CID 104612063
[2-[3-(1-methoxycycloheptyl)-1,2,4-oxadiazol-5-yl]cyclopentyl]methanamine
CID 116743214
3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-amine
CID 104609719
3-(1-methoxycyclobutyl)-5-(2-methylpyrrolidin-3-yl)-1,2,4-oxadiazole
CID 116701466

Frequently Asked Questions

What is the IUPAC name of 4-[3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-yl]-N-methylthiolan-3-amine?
The IUPAC name of 4-[3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-yl]-N-methylthiolan-3-amine (CID 104612006) is 4-[3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-yl]-N-methylthiolan-3-amine.
What is the SMILES notation for 4-[3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-yl]-N-methylthiolan-3-amine?
The canonical SMILES for 4-[3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-yl]-N-methylthiolan-3-amine is CNC1CSCC1c1nc(C2(OC)CCCC2)no1.
What is the InChIKey of 4-[3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-yl]-N-methylthiolan-3-amine?
The InChIKey is GATSLZWSSMFRCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2S/c1-14-10-8-19-7-9(10)11-15-12(16-18-11)13(17-2)5-3-4-6-13/h9-10,14H,3-8H2,1-2H3.
What are the key properties of 4-[3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-yl]-N-methylthiolan-3-amine?
4-[3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-yl]-N-methylthiolan-3-amine has a molecular weight of 283.40 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 4-[3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-yl]-N-methylthiolan-3-amine is sourced from PubChem (CID 104612006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).