3-[3-(4-fluorophenyl)oxolan-3-yl]-5-(1H-1,2,4-triazol-5-ylsulfanylmethyl)-1,2,4-oxadiazole

C15H14FN5O2S — CID 56717288

IUPAC3-[3-(4-fluorophenyl)oxolan-3-yl]-5-(1H-1,2,4-triazol-5-ylsulfanylmethyl)-1,2,4-oxadiazole
SMILESFc1ccc(C2(c3noc(CSc4ncn[nH]4)n3)CCOC2)cc1
InChIInChI=1S/C15H14FN5O2S/c16-11-3-1-10(2-4-11)15(5-6-22-8-15)13-19-12(23-21-13)7-24-14-17-9-18-20-14/h1-4,9H,5-8H2,(H,17,18,20)
InChIKeyXESZVJXISRIDMF-UHFFFAOYSA-N
MW347.38 g/mol
LogP2.33
Rot. Bonds5

About 3-[3-(4-fluorophenyl)oxolan-3-yl]-5-(1H-1,2,4-triazol-5-ylsulfanylmethyl)-1,2,4-oxadiazole

3-[3-(4-fluorophenyl)oxolan-3-yl]-5-(1H-1,2,4-triazol-5-ylsulfanylmethyl)-1,2,4-oxadiazole (PubChem CID 56717288) has the molecular formula C15H14FN5O2S and a molecular weight of 347.38 g/mol. Its IUPAC name is 3-[3-(4-fluorophenyl)oxolan-3-yl]-5-(1H-1,2,4-triazol-5-ylsulfanylmethyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[3-(4-fluorophenyl)oxolan-3-yl]-5-(1H-1,2,4-triazol-5-ylsulfanylmethyl)-1,2,4-oxadiazole
PubChem CID56717288
Molecular FormulaC15H14FN5O2S
Molecular Weight347.38 g/mol
Exact Mass347.09
IUPAC Name3-[3-(4-fluorophenyl)oxolan-3-yl]-5-(1H-1,2,4-triazol-5-ylsulfanylmethyl)-1,2,4-oxadiazole
SMILESFc1ccc(C2(c3noc(CSc4ncn[nH]4)n3)CCOC2)cc1
InChIInChI=1S/C15H14FN5O2S/c16-11-3-1-10(2-4-11)15(5-6-22-8-15)13-19-12(23-21-13)7-24-14-17-9-18-20-14/h1-4,9H,5-8H2,(H,17,18,20)
InChIKeyXESZVJXISRIDMF-UHFFFAOYSA-N
XLogP2.33
TPSA89.72 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.38
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-[3-(4-fluorophenyl)oxolan-3-yl]-5-(1H-1,2,4-triazol-5-ylsulfanylmethyl)-1,2,4-oxadiazole with MolForge

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Related Compounds

N-[[3-[3-(4-fluorophenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]acetamide
CID 45190975
1-[[3-[(3S)-3-(4-fluorophenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]azepan-2-one
CID 95212564
1-[3-[3-(4-fluorophenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine
CID 56712323
3-[(3R)-3-(4-fluorophenyl)oxolan-3-yl]-5-(1H-indazol-3-yl)-1,2,4-oxadiazole
CID 29022096
3-(furan-2-yl)-5-(1H-1,2,4-triazol-5-ylsulfanylmethyl)-1,2,4-oxadiazole
CID 37314754
3-[(3R)-3-(4-fluorophenyl)oxolan-3-yl]-5-(3-methylimidazo[4,5-b]pyridin-6-yl)-1,2,4-oxadiazole
CID 95218529
5-(3H-benzimidazol-5-yl)-3-[(3S)-3-(4-fluorophenyl)oxolan-3-yl]-1,2,4-oxadiazole
CID 95215992
3-[3-[(3R)-3-(4-fluorophenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]-1,4,6-trimethylpyridin-2-one
CID 95204467
3-[3-[1-(4-fluorophenyl)cyclohexyl]-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 166239044
3-[1-(4-fluorophenyl)cyclopropyl]-5-(piperazin-1-ylmethyl)-1,2,4-oxadiazole
CID 143660624
(3R)-5-fluorospiro[1H-indole-3,3'-oxolane]-2-one
CID 124681361
3-[1-(4-fluorophenyl)cyclohexyl]-5-[[4-[6-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1,2,4-oxadiazole
CID 70307987

Frequently Asked Questions

What is the IUPAC name of 3-[3-(4-fluorophenyl)oxolan-3-yl]-5-(1H-1,2,4-triazol-5-ylsulfanylmethyl)-1,2,4-oxadiazole?
The IUPAC name of 3-[3-(4-fluorophenyl)oxolan-3-yl]-5-(1H-1,2,4-triazol-5-ylsulfanylmethyl)-1,2,4-oxadiazole (CID 56717288) is 3-[3-(4-fluorophenyl)oxolan-3-yl]-5-(1H-1,2,4-triazol-5-ylsulfanylmethyl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-[3-(4-fluorophenyl)oxolan-3-yl]-5-(1H-1,2,4-triazol-5-ylsulfanylmethyl)-1,2,4-oxadiazole?
The canonical SMILES for 3-[3-(4-fluorophenyl)oxolan-3-yl]-5-(1H-1,2,4-triazol-5-ylsulfanylmethyl)-1,2,4-oxadiazole is Fc1ccc(C2(c3noc(CSc4ncn[nH]4)n3)CCOC2)cc1.
What is the InChIKey of 3-[3-(4-fluorophenyl)oxolan-3-yl]-5-(1H-1,2,4-triazol-5-ylsulfanylmethyl)-1,2,4-oxadiazole?
The InChIKey is XESZVJXISRIDMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FN5O2S/c16-11-3-1-10(2-4-11)15(5-6-22-8-15)13-19-12(23-21-13)7-24-14-17-9-18-20-14/h1-4,9H,5-8H2,(H,17,18,20).
What are the key properties of 3-[3-(4-fluorophenyl)oxolan-3-yl]-5-(1H-1,2,4-triazol-5-ylsulfanylmethyl)-1,2,4-oxadiazole?
3-[3-(4-fluorophenyl)oxolan-3-yl]-5-(1H-1,2,4-triazol-5-ylsulfanylmethyl)-1,2,4-oxadiazole has a molecular weight of 347.38 g/mol, XLogP of 2.33, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(4-fluorophenyl)oxolan-3-yl]-5-(1H-1,2,4-triazol-5-ylsulfanylmethyl)-1,2,4-oxadiazole is sourced from PubChem (CID 56717288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).