5-[1-[[5-cyclopropyl-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethyl]-3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazole

C16H16N8O2S — CID 71871875

IUPAC5-[1-[[5-cyclopropyl-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethyl]-3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazole
SMILESCC(Sc1nnc(C2CC2)n1Cc1ccco1)c1nc(-c2ncn[nH]2)no1
InChIInChI=1S/C16H16N8O2S/c1-9(15-19-13(23-26-15)12-17-8-18-20-12)27-16-22-21-14(10-4-5-10)24(16)7-11-3-2-6-25-11/h2-3,6,8-10H,4-5,7H2,1H3,(H,17,18,20)
InChIKeyUXLVVWGNSVEFAT-UHFFFAOYSA-N
MW384.43 g/mol
LogP2.82
Rot. Bonds7

About 5-[1-[[5-cyclopropyl-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethyl]-3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazole

5-[1-[[5-cyclopropyl-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethyl]-3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazole (PubChem CID 71871875) has the molecular formula C16H16N8O2S and a molecular weight of 384.43 g/mol. Its IUPAC name is 5-[1-[[5-cyclopropyl-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethyl]-3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[1-[[5-cyclopropyl-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethyl]-3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazole
PubChem CID71871875
Molecular FormulaC16H16N8O2S
Molecular Weight384.43 g/mol
Exact Mass384.11
IUPAC Name5-[1-[[5-cyclopropyl-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethyl]-3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazole
SMILESCC(Sc1nnc(C2CC2)n1Cc1ccco1)c1nc(-c2ncn[nH]2)no1
InChIInChI=1S/C16H16N8O2S/c1-9(15-19-13(23-26-15)12-17-8-18-20-12)27-16-22-21-14(10-4-5-10)24(16)7-11-3-2-6-25-11/h2-3,6,8-10H,4-5,7H2,1H3,(H,17,18,20)
InChIKeyUXLVVWGNSVEFAT-UHFFFAOYSA-N
XLogP2.82
TPSA124.34 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.43
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze 5-[1-[[5-cyclopropyl-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethyl]-3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[1-[[5-cyclopropyl-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethyl]-3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazole?
The IUPAC name of 5-[1-[[5-cyclopropyl-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethyl]-3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazole (CID 71871875) is 5-[1-[[5-cyclopropyl-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethyl]-3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-[1-[[5-cyclopropyl-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethyl]-3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazole?
The canonical SMILES for 5-[1-[[5-cyclopropyl-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethyl]-3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazole is CC(Sc1nnc(C2CC2)n1Cc1ccco1)c1nc(-c2ncn[nH]2)no1.
What is the InChIKey of 5-[1-[[5-cyclopropyl-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethyl]-3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazole?
The InChIKey is UXLVVWGNSVEFAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N8O2S/c1-9(15-19-13(23-26-15)12-17-8-18-20-12)27-16-22-21-14(10-4-5-10)24(16)7-11-3-2-6-25-11/h2-3,6,8-10H,4-5,7H2,1H3,(H,17,18,20).
What are the key properties of 5-[1-[[5-cyclopropyl-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethyl]-3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazole?
5-[1-[[5-cyclopropyl-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethyl]-3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazole has a molecular weight of 384.43 g/mol, XLogP of 2.82, 7 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[[5-cyclopropyl-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethyl]-3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 71871875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).