2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]ethanone

C25H23FN4O2S — CID 17431781

IUPAC2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]ethanone
SMILESO=C(CSc1nnc(-c2ccc(F)cc2)o1)N1CCN(Cc2cccc3ccccc23)CC1
InChIInChI=1S/C25H23FN4O2S/c26-21-10-8-19(9-11-21)24-27-28-25(32-24)33-17-23(31)30-14-12-29(13-15-30)16-20-6-3-5-18-4-1-2-7-22(18)20/h1-11H,12-17H2
InChIKeyDFVSLVNYKHYKQF-UHFFFAOYSA-N
MW462.55 g/mol
LogP4.47
Rot. Bonds6

About 2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]ethanone

2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]ethanone (PubChem CID 17431781) has the molecular formula C25H23FN4O2S and a molecular weight of 462.55 g/mol. Its IUPAC name is 2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]ethanone
PubChem CID17431781
Molecular FormulaC25H23FN4O2S
Molecular Weight462.55 g/mol
Exact Mass462.15
IUPAC Name2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]ethanone
SMILESO=C(CSc1nnc(-c2ccc(F)cc2)o1)N1CCN(Cc2cccc3ccccc23)CC1
InChIInChI=1S/C25H23FN4O2S/c26-21-10-8-19(9-11-21)24-27-28-25(32-24)33-17-23(31)30-14-12-29(13-15-30)16-20-6-3-5-18-4-1-2-7-22(18)20/h1-11H,12-17H2
InChIKeyDFVSLVNYKHYKQF-UHFFFAOYSA-N
XLogP4.47
TPSA62.47 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.55
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]ethanone?
The IUPAC name of 2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]ethanone (CID 17431781) is 2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]ethanone is O=C(CSc1nnc(-c2ccc(F)cc2)o1)N1CCN(Cc2cccc3ccccc23)CC1.
What is the InChIKey of 2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]ethanone?
The InChIKey is DFVSLVNYKHYKQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23FN4O2S/c26-21-10-8-19(9-11-21)24-27-28-25(32-24)33-17-23(31)30-14-12-29(13-15-30)16-20-6-3-5-18-4-1-2-7-22(18)20/h1-11H,12-17H2.
What are the key properties of 2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]ethanone?
2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]ethanone has a molecular weight of 462.55 g/mol, XLogP of 4.47, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 17431781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).