3-(cyclopentylsulfanylmethyl)-5-(3-propan-2-ylpyrrolidin-3-yl)-1,2,4-oxadiazole

C15H25N3OS — CID 106983407

IUPAC3-(cyclopentylsulfanylmethyl)-5-(3-propan-2-ylpyrrolidin-3-yl)-1,2,4-oxadiazole
SMILESCC(C)C1(c2nc(CSC3CCCC3)no2)CCNC1
InChIInChI=1S/C15H25N3OS/c1-11(2)15(7-8-16-10-15)14-17-13(18-19-14)9-20-12-5-3-4-6-12/h11-12,16H,3-10H2,1-2H3
InChIKeyQPZRULDEKZLHEX-UHFFFAOYSA-N
MW295.45 g/mol
LogP3.13
Rot. Bonds5

About 3-(cyclopentylsulfanylmethyl)-5-(3-propan-2-ylpyrrolidin-3-yl)-1,2,4-oxadiazole

3-(cyclopentylsulfanylmethyl)-5-(3-propan-2-ylpyrrolidin-3-yl)-1,2,4-oxadiazole (PubChem CID 106983407) has the molecular formula C15H25N3OS and a molecular weight of 295.45 g/mol. Its IUPAC name is 3-(cyclopentylsulfanylmethyl)-5-(3-propan-2-ylpyrrolidin-3-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(cyclopentylsulfanylmethyl)-5-(3-propan-2-ylpyrrolidin-3-yl)-1,2,4-oxadiazole
PubChem CID106983407
Molecular FormulaC15H25N3OS
Molecular Weight295.45 g/mol
Exact Mass295.17
IUPAC Name3-(cyclopentylsulfanylmethyl)-5-(3-propan-2-ylpyrrolidin-3-yl)-1,2,4-oxadiazole
SMILESCC(C)C1(c2nc(CSC3CCCC3)no2)CCNC1
InChIInChI=1S/C15H25N3OS/c1-11(2)15(7-8-16-10-15)14-17-13(18-19-14)9-20-12-5-3-4-6-12/h11-12,16H,3-10H2,1-2H3
InChIKeyQPZRULDEKZLHEX-UHFFFAOYSA-N
XLogP3.13
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.45
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(cyclopentylsulfanylmethyl)-5-(3-methylpiperidin-3-yl)-1,2,4-oxadiazole
CID 65141422
3-(cyclohexylsulfanylmethyl)-5-(4-methylpiperidin-4-yl)-1,2,4-oxadiazole
CID 65140310
3-[3-(cyclopentylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]piperidin-3-ol
CID 106950241
3-(1-ethoxycyclopentyl)-5-(3-propan-2-ylpyrrolidin-3-yl)-1,2,4-oxadiazole
CID 106983493
5-(3-propan-2-ylpyrrolidin-3-yl)-3-(thiophen-2-ylmethyl)-1,2,4-oxadiazole
CID 106983380
3-butan-2-yl-5-(3-propan-2-ylpyrrolidin-3-yl)-1,2,4-oxadiazole
CID 106983393
4-[3-(cyclohexylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-4-methyloxolan-3-amine
CID 66250718
3-(2-methyloxan-2-yl)-5-(3-propan-2-ylpyrrolidin-3-yl)-1,2,4-oxadiazole
CID 106983445
3-(cyclopentylsulfanylmethyl)-5-(2-piperidin-3-ylpropyl)-1,2,4-oxadiazole
CID 81048201
(1R)-1-[3-(cyclopentylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-1-amine
CID 104901643
3-[3-(cyclohexylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-4-methylpentan-2-amine
CID 65144278
3-(4-methylsulfanylphenyl)-5-(3-propan-2-ylpyrrolidin-3-yl)-1,2,4-oxadiazole
CID 106983519

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopentylsulfanylmethyl)-5-(3-propan-2-ylpyrrolidin-3-yl)-1,2,4-oxadiazole?
The IUPAC name of 3-(cyclopentylsulfanylmethyl)-5-(3-propan-2-ylpyrrolidin-3-yl)-1,2,4-oxadiazole (CID 106983407) is 3-(cyclopentylsulfanylmethyl)-5-(3-propan-2-ylpyrrolidin-3-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-(cyclopentylsulfanylmethyl)-5-(3-propan-2-ylpyrrolidin-3-yl)-1,2,4-oxadiazole?
The canonical SMILES for 3-(cyclopentylsulfanylmethyl)-5-(3-propan-2-ylpyrrolidin-3-yl)-1,2,4-oxadiazole is CC(C)C1(c2nc(CSC3CCCC3)no2)CCNC1.
What is the InChIKey of 3-(cyclopentylsulfanylmethyl)-5-(3-propan-2-ylpyrrolidin-3-yl)-1,2,4-oxadiazole?
The InChIKey is QPZRULDEKZLHEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3OS/c1-11(2)15(7-8-16-10-15)14-17-13(18-19-14)9-20-12-5-3-4-6-12/h11-12,16H,3-10H2,1-2H3.
What are the key properties of 3-(cyclopentylsulfanylmethyl)-5-(3-propan-2-ylpyrrolidin-3-yl)-1,2,4-oxadiazole?
3-(cyclopentylsulfanylmethyl)-5-(3-propan-2-ylpyrrolidin-3-yl)-1,2,4-oxadiazole has a molecular weight of 295.45 g/mol, XLogP of 3.13, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopentylsulfanylmethyl)-5-(3-propan-2-ylpyrrolidin-3-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 106983407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).