2-(furan-2-yl)-5-[(1-phenyl-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3,4-oxadiazole

C18H17N5O2S — CID 9474831

IUPAC2-(furan-2-yl)-5-[(1-phenyl-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3,4-oxadiazole
SMILESCC(C)c1nc(SCc2nnc(-c3ccco3)o2)nn1-c1ccccc1
InChIInChI=1S/C18H17N5O2S/c1-12(2)16-19-18(22-23(16)13-7-4-3-5-8-13)26-11-15-20-21-17(25-15)14-9-6-10-24-14/h3-10,12H,11H2,1-2H3
InChIKeyGJFHFZDWNLDATE-UHFFFAOYSA-N
MW367.43 g/mol
LogP4.33
Rot. Bonds6

About 2-(furan-2-yl)-5-[(1-phenyl-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3,4-oxadiazole

2-(furan-2-yl)-5-[(1-phenyl-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3,4-oxadiazole (PubChem CID 9474831) has the molecular formula C18H17N5O2S and a molecular weight of 367.43 g/mol. Its IUPAC name is 2-(furan-2-yl)-5-[(1-phenyl-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(furan-2-yl)-5-[(1-phenyl-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3,4-oxadiazole
PubChem CID9474831
Molecular FormulaC18H17N5O2S
Molecular Weight367.43 g/mol
Exact Mass367.11
IUPAC Name2-(furan-2-yl)-5-[(1-phenyl-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3,4-oxadiazole
SMILESCC(C)c1nc(SCc2nnc(-c3ccco3)o2)nn1-c1ccccc1
InChIInChI=1S/C18H17N5O2S/c1-12(2)16-19-18(22-23(16)13-7-4-3-5-8-13)26-11-15-20-21-17(25-15)14-9-6-10-24-14/h3-10,12H,11H2,1-2H3
InChIKeyGJFHFZDWNLDATE-UHFFFAOYSA-N
XLogP4.33
TPSA82.77 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.43
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

2-(furan-2-yl)-5-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3,4-oxadiazole
CID 8569855
2-(3,5-dimethoxyphenyl)-5-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]-1,3,4-oxadiazole
CID 7683396
3-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]-4-methylaniline
CID 79140871
2-(furan-2-yl)-5-(quinolin-8-ylsulfanylmethyl)-1,3,4-oxadiazole
CID 5135689
5-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]pyridin-2-amine
CID 43301993
2-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-5-(4-nitrophenyl)-1,3,4-oxadiazole
CID 37095987
2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]-2-methylpropanoic acid
CID 81230163
3-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]-5-(4-methylphenyl)-1,2,4-triazol-4-amine
CID 9408314
2-(bromomethyl)-5-(furan-2-yl)-1,3,4-oxadiazole
CID 81222446
2-(chloromethyl)-5-(furan-2-yl)-1,3,4-oxadiazole
CID 3689757
2-(furan-2-yl)-5-[(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylmethyl]-1,3,4-oxadiazole
CID 7888433
2-[[4-benzyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanylmethyl]-5-(4-methylphenyl)-1,3,4-oxadiazole
CID 38827055

Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)-5-[(1-phenyl-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3,4-oxadiazole?
The IUPAC name of 2-(furan-2-yl)-5-[(1-phenyl-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3,4-oxadiazole (CID 9474831) is 2-(furan-2-yl)-5-[(1-phenyl-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-(furan-2-yl)-5-[(1-phenyl-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-(furan-2-yl)-5-[(1-phenyl-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3,4-oxadiazole is CC(C)c1nc(SCc2nnc(-c3ccco3)o2)nn1-c1ccccc1.
What is the InChIKey of 2-(furan-2-yl)-5-[(1-phenyl-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3,4-oxadiazole?
The InChIKey is GJFHFZDWNLDATE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O2S/c1-12(2)16-19-18(22-23(16)13-7-4-3-5-8-13)26-11-15-20-21-17(25-15)14-9-6-10-24-14/h3-10,12H,11H2,1-2H3.
What are the key properties of 2-(furan-2-yl)-5-[(1-phenyl-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3,4-oxadiazole?
2-(furan-2-yl)-5-[(1-phenyl-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3,4-oxadiazole has a molecular weight of 367.43 g/mol, XLogP of 4.33, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)-5-[(1-phenyl-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3,4-oxadiazole is sourced from PubChem (CID 9474831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).