3-[[2-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methyl]-1,4-dihydro-1,2,4-triazol-5-one

C16H17FN6O2 — CID 137218353

IUPAC3-[[2-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methyl]-1,4-dihydro-1,2,4-triazol-5-one
SMILESO=c1[nH]nc(CN2CCCCC2c2nnc(-c3ccccc3F)o2)[nH]1
InChIInChI=1S/C16H17FN6O2/c17-11-6-2-1-5-10(11)14-20-21-15(25-14)12-7-3-4-8-23(12)9-13-18-16(24)22-19-13/h1-2,5-6,12H,3-4,7-9H2,(H2,18,19,22,24)
InChIKeyWLECBURYOSPSDS-UHFFFAOYSA-N
MW344.35 g/mol
LogP2.01
Rot. Bonds4

About 3-[[2-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methyl]-1,4-dihydro-1,2,4-triazol-5-one

3-[[2-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methyl]-1,4-dihydro-1,2,4-triazol-5-one (PubChem CID 137218353) has the molecular formula C16H17FN6O2 and a molecular weight of 344.35 g/mol. Its IUPAC name is 3-[[2-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methyl]-1,4-dihydro-1,2,4-triazol-5-one.

Molecular Properties

Compound Name3-[[2-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methyl]-1,4-dihydro-1,2,4-triazol-5-one
PubChem CID137218353
Molecular FormulaC16H17FN6O2
Molecular Weight344.35 g/mol
Exact Mass344.14
IUPAC Name3-[[2-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methyl]-1,4-dihydro-1,2,4-triazol-5-one
SMILESO=c1[nH]nc(CN2CCCCC2c2nnc(-c3ccccc3F)o2)[nH]1
InChIInChI=1S/C16H17FN6O2/c17-11-6-2-1-5-10(11)14-20-21-15(25-14)12-7-3-4-8-23(12)9-13-18-16(24)22-19-13/h1-2,5-6,12H,3-4,7-9H2,(H2,18,19,22,24)
InChIKeyWLECBURYOSPSDS-UHFFFAOYSA-N
XLogP2.01
TPSA103.70 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.35
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[[2-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methyl]-1,4-dihydro-1,2,4-triazol-5-one?
The IUPAC name of 3-[[2-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methyl]-1,4-dihydro-1,2,4-triazol-5-one (CID 137218353) is 3-[[2-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methyl]-1,4-dihydro-1,2,4-triazol-5-one.
What is the SMILES notation for 3-[[2-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methyl]-1,4-dihydro-1,2,4-triazol-5-one?
The canonical SMILES for 3-[[2-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methyl]-1,4-dihydro-1,2,4-triazol-5-one is O=c1[nH]nc(CN2CCCCC2c2nnc(-c3ccccc3F)o2)[nH]1.
What is the InChIKey of 3-[[2-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methyl]-1,4-dihydro-1,2,4-triazol-5-one?
The InChIKey is WLECBURYOSPSDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN6O2/c17-11-6-2-1-5-10(11)14-20-21-15(25-14)12-7-3-4-8-23(12)9-13-18-16(24)22-19-13/h1-2,5-6,12H,3-4,7-9H2,(H2,18,19,22,24).
What are the key properties of 3-[[2-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methyl]-1,4-dihydro-1,2,4-triazol-5-one?
3-[[2-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methyl]-1,4-dihydro-1,2,4-triazol-5-one has a molecular weight of 344.35 g/mol, XLogP of 2.01, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methyl]-1,4-dihydro-1,2,4-triazol-5-one is sourced from PubChem (CID 137218353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).