5-(furan-3-yl)-3-(triazol-1-ylmethyl)-1,2,4-oxadiazole

C9H7N5O2 — CID 91661141

IUPAC5-(furan-3-yl)-3-(triazol-1-ylmethyl)-1,2,4-oxadiazole
SMILESc1cn(Cc2noc(-c3ccoc3)n2)nn1
InChIInChI=1S/C9H7N5O2/c1-4-15-6-7(1)9-11-8(12-16-9)5-14-3-2-10-13-14/h1-4,6H,5H2
InChIKeyNXRWJRILMDROBE-UHFFFAOYSA-N
MW217.19 g/mol
LogP0.97
Rot. Bonds3

About 5-(furan-3-yl)-3-(triazol-1-ylmethyl)-1,2,4-oxadiazole

5-(furan-3-yl)-3-(triazol-1-ylmethyl)-1,2,4-oxadiazole (PubChem CID 91661141) has the molecular formula C9H7N5O2 and a molecular weight of 217.19 g/mol. Its IUPAC name is 5-(furan-3-yl)-3-(triazol-1-ylmethyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(furan-3-yl)-3-(triazol-1-ylmethyl)-1,2,4-oxadiazole
PubChem CID91661141
Molecular FormulaC9H7N5O2
Molecular Weight217.19 g/mol
Exact Mass217.06
IUPAC Name5-(furan-3-yl)-3-(triazol-1-ylmethyl)-1,2,4-oxadiazole
SMILESc1cn(Cc2noc(-c3ccoc3)n2)nn1
InChIInChI=1S/C9H7N5O2/c1-4-15-6-7(1)9-11-8(12-16-9)5-14-3-2-10-13-14/h1-4,6H,5H2
InChIKeyNXRWJRILMDROBE-UHFFFAOYSA-N
XLogP0.97
TPSA82.77 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.19
LogP ≤ 50.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1-(Furan-3-carbonyl)-4-[4-(3-methyl-1,2,4-oxadiazol-5-YL)-1H-1,2,3-triazol-1-YL]piperidine
CID 91891763
1-(Furan-3-carbonyl)-4-[4-(3-propyl-1,2,4-oxadiazol-5-YL)-1H-1,2,3-triazol-1-YL]piperidine
CID 91891909
5-{1-[1-(Furan-3-carbonyl)pyrrolidin-3-YL]-1H-1,2,3-triazol-4-YL}-3-methyl-1,2,4-oxadiazole
CID 91892135
3-Ethyl-5-{1-[1-(furan-3-carbonyl)pyrrolidin-3-YL]-1H-1,2,3-triazol-4-YL}-1,2,4-oxadiazole
CID 91892219
5-{1-[1-(Furan-3-carbonyl)pyrrolidin-3-YL]-1H-1,2,3-triazol-4-YL}-3-(propan-2-YL)-1,2,4-oxadiazole
CID 91892256
3-Cyclopropyl-5-{1-[1-(furan-3-carbonyl)pyrrolidin-3-YL]-1H-1,2,3-triazol-4-YL}-1,2,4-oxadiazole
CID 91892297
4-[4-(3-Ethyl-1,2,4-oxadiazol-5-YL)-1H-1,2,3-triazol-1-YL]-1-(furan-3-carbonyl)piperidine
CID 91908476
3-(Triazol-1-ylmethyl)-5-[2-(trifluoromethyl)furan-3-yl]-1,2,4-oxadiazole
CID 167894692
5-(Furan-3-yl)-3-[(4-nitropyrazol-1-yl)methyl]-1,2,4-oxadiazole
CID 53588101
5-(furan-3-yl)-3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazole
CID 62946289
2-[4-[3-(Furan-3-yl)-1,2,4-oxadiazol-5-yl]triazol-1-yl]ethanamine
CID 65949519
5-(Furan-3-yl)-3-[(4-methylpyrazol-1-yl)methyl]-1,2,4-oxadiazole
CID 71996933

Frequently Asked Questions

What is the IUPAC name of 5-(furan-3-yl)-3-(triazol-1-ylmethyl)-1,2,4-oxadiazole?
The IUPAC name of 5-(furan-3-yl)-3-(triazol-1-ylmethyl)-1,2,4-oxadiazole (CID 91661141) is 5-(furan-3-yl)-3-(triazol-1-ylmethyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-(furan-3-yl)-3-(triazol-1-ylmethyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-(furan-3-yl)-3-(triazol-1-ylmethyl)-1,2,4-oxadiazole is c1cn(Cc2noc(-c3ccoc3)n2)nn1.
What is the InChIKey of 5-(furan-3-yl)-3-(triazol-1-ylmethyl)-1,2,4-oxadiazole?
The InChIKey is NXRWJRILMDROBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N5O2/c1-4-15-6-7(1)9-11-8(12-16-9)5-14-3-2-10-13-14/h1-4,6H,5H2.
What are the key properties of 5-(furan-3-yl)-3-(triazol-1-ylmethyl)-1,2,4-oxadiazole?
5-(furan-3-yl)-3-(triazol-1-ylmethyl)-1,2,4-oxadiazole has a molecular weight of 217.19 g/mol, XLogP of 0.97, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(furan-3-yl)-3-(triazol-1-ylmethyl)-1,2,4-oxadiazole is sourced from PubChem (CID 91661141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).