2-(2,4-difluorophenyl)-1-[4-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]triazol-1-yl]-3-(1,2,4-triazol-1-yl)propan-2-ol

C19H14F2N8O3S — CID 72710083

IUPAC2-(2,4-difluorophenyl)-1-[4-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]triazol-1-yl]-3-(1,2,4-triazol-1-yl)propan-2-ol
SMILESOC(Cn1cncn1)(Cn1cc(Sc2nnc(-c3ccco3)o2)nn1)c1ccc(F)cc1F
InChIInChI=1S/C19H14F2N8O3S/c20-12-3-4-13(14(21)6-12)19(30,9-29-11-22-10-23-29)8-28-7-16(24-27-28)33-18-26-25-17(32-18)15-2-1-5-31-15/h1-7,10-11,30H,8-9H2
InChIKeyWJRVFEQOXKJUDQ-UHFFFAOYSA-N
MW472.44 g/mol
LogP2.53
Rot. Bonds8

About 2-(2,4-difluorophenyl)-1-[4-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]triazol-1-yl]-3-(1,2,4-triazol-1-yl)propan-2-ol

2-(2,4-difluorophenyl)-1-[4-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]triazol-1-yl]-3-(1,2,4-triazol-1-yl)propan-2-ol (PubChem CID 72710083) has the molecular formula C19H14F2N8O3S and a molecular weight of 472.44 g/mol. Its IUPAC name is 2-(2,4-difluorophenyl)-1-[4-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]triazol-1-yl]-3-(1,2,4-triazol-1-yl)propan-2-ol.

Molecular Properties

Compound Name2-(2,4-difluorophenyl)-1-[4-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]triazol-1-yl]-3-(1,2,4-triazol-1-yl)propan-2-ol
PubChem CID72710083
Molecular FormulaC19H14F2N8O3S
Molecular Weight472.44 g/mol
Exact Mass472.09
IUPAC Name2-(2,4-difluorophenyl)-1-[4-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]triazol-1-yl]-3-(1,2,4-triazol-1-yl)propan-2-ol
SMILESOC(Cn1cncn1)(Cn1cc(Sc2nnc(-c3ccco3)o2)nn1)c1ccc(F)cc1F
InChIInChI=1S/C19H14F2N8O3S/c20-12-3-4-13(14(21)6-12)19(30,9-29-11-22-10-23-29)8-28-7-16(24-27-28)33-18-26-25-17(32-18)15-2-1-5-31-15/h1-7,10-11,30H,8-9H2
InChIKeyWJRVFEQOXKJUDQ-UHFFFAOYSA-N
XLogP2.53
TPSA133.71 Ų
H-Bond Donors1
H-Bond Acceptors12
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.44
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1012

Analyze 2-(2,4-difluorophenyl)-1-[4-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]triazol-1-yl]-3-(1,2,4-triazol-1-yl)propan-2-ol with MolForge

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Related Compounds

2-(2,4-difluorophenyl)-1-[4-[[5-(4-pentylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]triazol-1-yl]-3-(1,2,4-triazol-1-yl)propan-2-ol
CID 72710080
2-(2,4-difluorophenyl)-3-(1,2,4-triazol-1-yl)propane-1,2-diol
CID 10988840
(2R)-2-(2,4-difluorophenyl)-4-[[(3R)-3-(2,4-difluorophenyl)-3-hydroxy-4-(1,2,4-triazol-1-yl)butyl]disulfanyl]-1-(1,2,4-triazol-1-yl)butan-2-ol
CID 54205825
2-(2,4-difluorophenyl)-1-[1-[(4-fluorophenyl)methyl]triazol-4-yl]-3-(1,2,4-triazol-1-yl)propan-2-ol
CID 70691806
2-(2,4-difluorophenyl)-1-[4-[(4-methylphenoxy)methyl]triazol-1-yl]-3-(1,2,4-triazol-1-yl)propan-2-ol
CID 78322012
2-(2,4-difluorophenyl)-1-[4-[3-[[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propyl]piperazin-1-yl]-3-(1,2,4-triazol-1-yl)propan-2-ol
CID 72945902
2-amino-3-[1-[2-(2,4-difluorophenyl)-2-hydroxy-3-(1,2,4-triazol-1-yl)propyl]triazol-4-yl]propanoic acid
CID 146681612
1-[1-[(2-chlorophenyl)methyl]triazol-4-yl]-2-(2,4-difluorophenyl)-3-(1,2,4-triazol-1-yl)propan-2-ol
CID 70695986
2-(2,4-difluorophenyl)-1-[4-(2-phenylethynyl)pyrazol-1-yl]-3-(1,2,4-triazol-1-yl)propan-2-ol
CID 175009522
2-(2,4-difluorophenyl)-1-(1,2,4-triazol-1-yl)-5-trimethylsilylpentan-2-ol
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2-(2,4-difluorophenyl)-1-imidazol-1-yl-3-(1,2,4-triazol-1-yl)propan-2-ol
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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluorophenyl)-1-[4-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]triazol-1-yl]-3-(1,2,4-triazol-1-yl)propan-2-ol?
The IUPAC name of 2-(2,4-difluorophenyl)-1-[4-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]triazol-1-yl]-3-(1,2,4-triazol-1-yl)propan-2-ol (CID 72710083) is 2-(2,4-difluorophenyl)-1-[4-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]triazol-1-yl]-3-(1,2,4-triazol-1-yl)propan-2-ol.
What is the SMILES notation for 2-(2,4-difluorophenyl)-1-[4-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]triazol-1-yl]-3-(1,2,4-triazol-1-yl)propan-2-ol?
The canonical SMILES for 2-(2,4-difluorophenyl)-1-[4-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]triazol-1-yl]-3-(1,2,4-triazol-1-yl)propan-2-ol is OC(Cn1cncn1)(Cn1cc(Sc2nnc(-c3ccco3)o2)nn1)c1ccc(F)cc1F.
What is the InChIKey of 2-(2,4-difluorophenyl)-1-[4-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]triazol-1-yl]-3-(1,2,4-triazol-1-yl)propan-2-ol?
The InChIKey is WJRVFEQOXKJUDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F2N8O3S/c20-12-3-4-13(14(21)6-12)19(30,9-29-11-22-10-23-29)8-28-7-16(24-27-28)33-18-26-25-17(32-18)15-2-1-5-31-15/h1-7,10-11,30H,8-9H2.
What are the key properties of 2-(2,4-difluorophenyl)-1-[4-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]triazol-1-yl]-3-(1,2,4-triazol-1-yl)propan-2-ol?
2-(2,4-difluorophenyl)-1-[4-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]triazol-1-yl]-3-(1,2,4-triazol-1-yl)propan-2-ol has a molecular weight of 472.44 g/mol, XLogP of 2.53, 8 rotatable bonds, 1 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-difluorophenyl)-1-[4-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]triazol-1-yl]-3-(1,2,4-triazol-1-yl)propan-2-ol is sourced from PubChem (CID 72710083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).