3-cyclopropyl-5-[1-[4-(thiophen-3-ylmethyl)piperazin-1-yl]ethyl]-1,2,4-oxadiazole

C16H22N4OS — CID 51086505

IUPAC3-cyclopropyl-5-[1-[4-(thiophen-3-ylmethyl)piperazin-1-yl]ethyl]-1,2,4-oxadiazole
SMILESCC(c1nc(C2CC2)no1)N1CCN(Cc2ccsc2)CC1
InChIInChI=1S/C16H22N4OS/c1-12(16-17-15(18-21-16)14-2-3-14)20-7-5-19(6-8-20)10-13-4-9-22-11-13/h4,9,11-12,14H,2-3,5-8,10H2,1H3
InChIKeyXLYIRSSXRJCJRT-UHFFFAOYSA-N
MW318.45 g/mol
LogP2.89
Rot. Bonds5

About 3-cyclopropyl-5-[1-[4-(thiophen-3-ylmethyl)piperazin-1-yl]ethyl]-1,2,4-oxadiazole

3-cyclopropyl-5-[1-[4-(thiophen-3-ylmethyl)piperazin-1-yl]ethyl]-1,2,4-oxadiazole (PubChem CID 51086505) has the molecular formula C16H22N4OS and a molecular weight of 318.45 g/mol. Its IUPAC name is 3-cyclopropyl-5-[1-[4-(thiophen-3-ylmethyl)piperazin-1-yl]ethyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-cyclopropyl-5-[1-[4-(thiophen-3-ylmethyl)piperazin-1-yl]ethyl]-1,2,4-oxadiazole
PubChem CID51086505
Molecular FormulaC16H22N4OS
Molecular Weight318.45 g/mol
Exact Mass318.15
IUPAC Name3-cyclopropyl-5-[1-[4-(thiophen-3-ylmethyl)piperazin-1-yl]ethyl]-1,2,4-oxadiazole
SMILESCC(c1nc(C2CC2)no1)N1CCN(Cc2ccsc2)CC1
InChIInChI=1S/C16H22N4OS/c1-12(16-17-15(18-21-16)14-2-3-14)20-7-5-19(6-8-20)10-13-4-9-22-11-13/h4,9,11-12,14H,2-3,5-8,10H2,1H3
InChIKeyXLYIRSSXRJCJRT-UHFFFAOYSA-N
XLogP2.89
TPSA45.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.45
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-5-[1-[4-(thiophen-3-ylmethyl)piperazin-1-yl]ethyl]-1,2,4-oxadiazole?
The IUPAC name of 3-cyclopropyl-5-[1-[4-(thiophen-3-ylmethyl)piperazin-1-yl]ethyl]-1,2,4-oxadiazole (CID 51086505) is 3-cyclopropyl-5-[1-[4-(thiophen-3-ylmethyl)piperazin-1-yl]ethyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-cyclopropyl-5-[1-[4-(thiophen-3-ylmethyl)piperazin-1-yl]ethyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-cyclopropyl-5-[1-[4-(thiophen-3-ylmethyl)piperazin-1-yl]ethyl]-1,2,4-oxadiazole is CC(c1nc(C2CC2)no1)N1CCN(Cc2ccsc2)CC1.
What is the InChIKey of 3-cyclopropyl-5-[1-[4-(thiophen-3-ylmethyl)piperazin-1-yl]ethyl]-1,2,4-oxadiazole?
The InChIKey is XLYIRSSXRJCJRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4OS/c1-12(16-17-15(18-21-16)14-2-3-14)20-7-5-19(6-8-20)10-13-4-9-22-11-13/h4,9,11-12,14H,2-3,5-8,10H2,1H3.
What are the key properties of 3-cyclopropyl-5-[1-[4-(thiophen-3-ylmethyl)piperazin-1-yl]ethyl]-1,2,4-oxadiazole?
3-cyclopropyl-5-[1-[4-(thiophen-3-ylmethyl)piperazin-1-yl]ethyl]-1,2,4-oxadiazole has a molecular weight of 318.45 g/mol, XLogP of 2.89, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-5-[1-[4-(thiophen-3-ylmethyl)piperazin-1-yl]ethyl]-1,2,4-oxadiazole is sourced from PubChem (CID 51086505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).