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

C17H17N5OS — CID 7665399

IUPAC2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanylmethyl]-5-phenyl-1,3,4-oxadiazole
SMILESc1ccc(-c2nnc(CSc3nnc(C4CC4)n3C3CC3)o2)cc1
InChIInChI=1S/C17H17N5OS/c1-2-4-12(5-3-1)16-20-18-14(23-16)10-24-17-21-19-15(11-6-7-11)22(17)13-8-9-13/h1-5,11,13H,6-10H2
InChIKeyGXIWFAVQTPJLBT-UHFFFAOYSA-N
MW339.42 g/mol
LogP3.83
Rot. Bonds6

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

2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanylmethyl]-5-phenyl-1,3,4-oxadiazole (PubChem CID 7665399) has the molecular formula C17H17N5OS and a molecular weight of 339.42 g/mol. Its IUPAC name is 2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanylmethyl]-5-phenyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanylmethyl]-5-phenyl-1,3,4-oxadiazole
PubChem CID7665399
Molecular FormulaC17H17N5OS
Molecular Weight339.42 g/mol
Exact Mass339.12
IUPAC Name2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanylmethyl]-5-phenyl-1,3,4-oxadiazole
SMILESc1ccc(-c2nnc(CSc3nnc(C4CC4)n3C3CC3)o2)cc1
InChIInChI=1S/C17H17N5OS/c1-2-4-12(5-3-1)16-20-18-14(23-16)10-24-17-21-19-15(11-6-7-11)22(17)13-8-9-13/h1-5,11,13H,6-10H2
InChIKeyGXIWFAVQTPJLBT-UHFFFAOYSA-N
XLogP3.83
TPSA69.63 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.42
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanylmethyl]-5-phenyl-1,3,4-oxadiazole?
The IUPAC name of 2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanylmethyl]-5-phenyl-1,3,4-oxadiazole (CID 7665399) is 2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanylmethyl]-5-phenyl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanylmethyl]-5-phenyl-1,3,4-oxadiazole?
The canonical SMILES for 2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanylmethyl]-5-phenyl-1,3,4-oxadiazole is c1ccc(-c2nnc(CSc3nnc(C4CC4)n3C3CC3)o2)cc1.
What is the InChIKey of 2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanylmethyl]-5-phenyl-1,3,4-oxadiazole?
The InChIKey is GXIWFAVQTPJLBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5OS/c1-2-4-12(5-3-1)16-20-18-14(23-16)10-24-17-21-19-15(11-6-7-11)22(17)13-8-9-13/h1-5,11,13H,6-10H2.
What are the key properties of 2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanylmethyl]-5-phenyl-1,3,4-oxadiazole?
2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanylmethyl]-5-phenyl-1,3,4-oxadiazole has a molecular weight of 339.42 g/mol, XLogP of 3.83, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanylmethyl]-5-phenyl-1,3,4-oxadiazole is sourced from PubChem (CID 7665399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).