5-[1-[1-(difluoromethyl)benzimidazol-2-yl]sulfanylethyl]-3-(furan-2-yl)-1,2,4-oxadiazole

C16H12F2N4O2S — CID 43062150

IUPAC5-[1-[1-(difluoromethyl)benzimidazol-2-yl]sulfanylethyl]-3-(furan-2-yl)-1,2,4-oxadiazole
SMILESCC(Sc1nc2ccccc2n1C(F)F)c1nc(-c2ccco2)no1
InChIInChI=1S/C16H12F2N4O2S/c1-9(14-20-13(21-24-14)12-7-4-8-23-12)25-16-19-10-5-2-3-6-11(10)22(16)15(17)18/h2-9,15H,1H3
InChIKeyUQTADQLAUOKMQL-UHFFFAOYSA-N
MW362.36 g/mol
LogP4.93
Rot. Bonds5

About 5-[1-[1-(difluoromethyl)benzimidazol-2-yl]sulfanylethyl]-3-(furan-2-yl)-1,2,4-oxadiazole

5-[1-[1-(difluoromethyl)benzimidazol-2-yl]sulfanylethyl]-3-(furan-2-yl)-1,2,4-oxadiazole (PubChem CID 43062150) has the molecular formula C16H12F2N4O2S and a molecular weight of 362.36 g/mol. Its IUPAC name is 5-[1-[1-(difluoromethyl)benzimidazol-2-yl]sulfanylethyl]-3-(furan-2-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[1-[1-(difluoromethyl)benzimidazol-2-yl]sulfanylethyl]-3-(furan-2-yl)-1,2,4-oxadiazole
PubChem CID43062150
Molecular FormulaC16H12F2N4O2S
Molecular Weight362.36 g/mol
Exact Mass362.06
IUPAC Name5-[1-[1-(difluoromethyl)benzimidazol-2-yl]sulfanylethyl]-3-(furan-2-yl)-1,2,4-oxadiazole
SMILESCC(Sc1nc2ccccc2n1C(F)F)c1nc(-c2ccco2)no1
InChIInChI=1S/C16H12F2N4O2S/c1-9(14-20-13(21-24-14)12-7-4-8-23-12)25-16-19-10-5-2-3-6-11(10)22(16)15(17)18/h2-9,15H,1H3
InChIKeyUQTADQLAUOKMQL-UHFFFAOYSA-N
XLogP4.93
TPSA69.88 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.36
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

3-tert-butyl-5-[(1S)-1-[1-(difluoromethyl)benzimidazol-2-yl]sulfanylethyl]-1,2,4-oxadiazole
CID 37332293
5-[(1R)-1-(1-tert-butyltetrazol-5-yl)sulfanylethyl]-3-(furan-2-yl)-1,2,4-oxadiazole
CID 36983477
5-[(1S)-1-(1-ethyltetrazol-5-yl)sulfanylethyl]-3-(furan-2-yl)-1,2,4-oxadiazole
CID 36983533
4-amino-3-[1-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]ethylsulfanyl]-6-methyl-1,2,4-triazin-5-one
CID 43062139
2-(furan-2-yl)-5-[1-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]ethylsulfanyl]-1,3,4-oxadiazole
CID 42886296
6-chloro-2-[(1R)-1-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]ethyl]sulfanyl-3-(2-methylpropyl)quinazolin-4-one
CID 36980945
3-(furan-2-yl)-5-[1-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]ethyl]-1,2,4-oxadiazole
CID 42955584
2-[1-(difluoromethyl)benzimidazol-2-yl]sulfanyl-N-(furan-2-ylmethyl)propanamide
CID 47021928
5-[1-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylethyl]-3-phenyl-1,2,4-oxadiazole
CID 51259633
5-(1-bromopropyl)-3-(furan-2-yl)-1,2,4-oxadiazole
CID 62854734
5-[1-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]ethylsulfanyl]-N-methyl-1,3,4-thiadiazol-2-amine
CID 42955614
5-[(1R)-1-[[5-(4-tert-butylphenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]ethyl]-3-(furan-2-yl)-1,2,4-oxadiazole
CID 36982527

Frequently Asked Questions

What is the IUPAC name of 5-[1-[1-(difluoromethyl)benzimidazol-2-yl]sulfanylethyl]-3-(furan-2-yl)-1,2,4-oxadiazole?
The IUPAC name of 5-[1-[1-(difluoromethyl)benzimidazol-2-yl]sulfanylethyl]-3-(furan-2-yl)-1,2,4-oxadiazole (CID 43062150) is 5-[1-[1-(difluoromethyl)benzimidazol-2-yl]sulfanylethyl]-3-(furan-2-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-[1-[1-(difluoromethyl)benzimidazol-2-yl]sulfanylethyl]-3-(furan-2-yl)-1,2,4-oxadiazole?
The canonical SMILES for 5-[1-[1-(difluoromethyl)benzimidazol-2-yl]sulfanylethyl]-3-(furan-2-yl)-1,2,4-oxadiazole is CC(Sc1nc2ccccc2n1C(F)F)c1nc(-c2ccco2)no1.
What is the InChIKey of 5-[1-[1-(difluoromethyl)benzimidazol-2-yl]sulfanylethyl]-3-(furan-2-yl)-1,2,4-oxadiazole?
The InChIKey is UQTADQLAUOKMQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F2N4O2S/c1-9(14-20-13(21-24-14)12-7-4-8-23-12)25-16-19-10-5-2-3-6-11(10)22(16)15(17)18/h2-9,15H,1H3.
What are the key properties of 5-[1-[1-(difluoromethyl)benzimidazol-2-yl]sulfanylethyl]-3-(furan-2-yl)-1,2,4-oxadiazole?
5-[1-[1-(difluoromethyl)benzimidazol-2-yl]sulfanylethyl]-3-(furan-2-yl)-1,2,4-oxadiazole has a molecular weight of 362.36 g/mol, XLogP of 4.93, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[1-(difluoromethyl)benzimidazol-2-yl]sulfanylethyl]-3-(furan-2-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 43062150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).