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

C8H11N5O2 — CID 50964010

IUPAC5-(2-methoxyethyl)-3-(1,2,4-triazol-4-ylmethyl)-1,2,4-oxadiazole
SMILESCOCCc1nc(Cn2cnnc2)no1
InChIInChI=1S/C8H11N5O2/c1-14-3-2-8-11-7(12-15-8)4-13-5-9-10-6-13/h5-6H,2-4H2,1H3
InChIKeyVPFLUIIUCVKSGP-UHFFFAOYSA-N
MW209.21 g/mol
LogP-0.10
Rot. Bonds5

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

5-(2-methoxyethyl)-3-(1,2,4-triazol-4-ylmethyl)-1,2,4-oxadiazole (PubChem CID 50964010) has the molecular formula C8H11N5O2 and a molecular weight of 209.21 g/mol. Its IUPAC name is 5-(2-methoxyethyl)-3-(1,2,4-triazol-4-ylmethyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(2-methoxyethyl)-3-(1,2,4-triazol-4-ylmethyl)-1,2,4-oxadiazole
PubChem CID50964010
Molecular FormulaC8H11N5O2
Molecular Weight209.21 g/mol
Exact Mass209.09
IUPAC Name5-(2-methoxyethyl)-3-(1,2,4-triazol-4-ylmethyl)-1,2,4-oxadiazole
SMILESCOCCc1nc(Cn2cnnc2)no1
InChIInChI=1S/C8H11N5O2/c1-14-3-2-8-11-7(12-15-8)4-13-5-9-10-6-13/h5-6H,2-4H2,1H3
InChIKeyVPFLUIIUCVKSGP-UHFFFAOYSA-N
XLogP-0.10
TPSA78.86 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.21
LogP ≤ 5-0.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

3-(2-methoxyethyl)-5-(4H-1,2,4-triazol-4-ylmethyl)-1,2,4-oxadiazole
CID 50984138
1-(5-ethyl-1,2,4-oxadiazol-3-yl)-N-methyl-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]methanamine
CID 72114166
5-Ethyl-3-(1-ethyl-1,2,4-triazol-3-yl)-1,2,4-oxadiazole
CID 146448622
5-Ethyl-3-(1-propyl-1,2,4-triazol-3-yl)-1,2,4-oxadiazole
CID 146448721
5-isopropyl-3-[2-(4H-1,2,4-triazol-4-yl)ethyl]-1,2,4-oxadiazole
CID 50979520
5-(2-propoxyethyl)-3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazole
CID 62945300
5-(2-methoxyethyl)-3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazole
CID 62945301
5-(2-ethoxyethyl)-3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazole
CID 62945476
5-Ethyl-3-(1,2,4-triazol-1-ylmethyl)-1,2,4-oxadiazole
CID 63810362
5-Propan-2-yl-3-(1,2,4-triazol-1-ylmethyl)-1,2,4-oxadiazole
CID 63811470
5-Tert-butyl-3-(1,2,4-triazol-1-ylmethyl)-1,2,4-oxadiazole
CID 72005231
1-(4-ethyl-4H-1,2,4-triazol-3-yl)-N-{[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl}-N-methylmethanamine
CID 91839323

Frequently Asked Questions

What is the IUPAC name of 5-(2-methoxyethyl)-3-(1,2,4-triazol-4-ylmethyl)-1,2,4-oxadiazole?
The IUPAC name of 5-(2-methoxyethyl)-3-(1,2,4-triazol-4-ylmethyl)-1,2,4-oxadiazole (CID 50964010) is 5-(2-methoxyethyl)-3-(1,2,4-triazol-4-ylmethyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-(2-methoxyethyl)-3-(1,2,4-triazol-4-ylmethyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-(2-methoxyethyl)-3-(1,2,4-triazol-4-ylmethyl)-1,2,4-oxadiazole is COCCc1nc(Cn2cnnc2)no1.
What is the InChIKey of 5-(2-methoxyethyl)-3-(1,2,4-triazol-4-ylmethyl)-1,2,4-oxadiazole?
The InChIKey is VPFLUIIUCVKSGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N5O2/c1-14-3-2-8-11-7(12-15-8)4-13-5-9-10-6-13/h5-6H,2-4H2,1H3.
What are the key properties of 5-(2-methoxyethyl)-3-(1,2,4-triazol-4-ylmethyl)-1,2,4-oxadiazole?
5-(2-methoxyethyl)-3-(1,2,4-triazol-4-ylmethyl)-1,2,4-oxadiazole has a molecular weight of 209.21 g/mol, XLogP of -0.10, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methoxyethyl)-3-(1,2,4-triazol-4-ylmethyl)-1,2,4-oxadiazole is sourced from PubChem (CID 50964010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).