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

C8H11N5O2 — CID 50984138

IUPAC3-(2-methoxyethyl)-5-(1,2,4-triazol-4-ylmethyl)-1,2,4-oxadiazole
SMILESCOCCc1noc(Cn2cnnc2)n1
InChIInChI=1S/C8H11N5O2/c1-14-3-2-7-11-8(15-12-7)4-13-5-9-10-6-13/h5-6H,2-4H2,1H3
InChIKeyXZYMOTMYYUMYOF-UHFFFAOYSA-N
MW209.21 g/mol
LogP-0.10
Rot. Bonds5

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

3-(2-methoxyethyl)-5-(1,2,4-triazol-4-ylmethyl)-1,2,4-oxadiazole (PubChem CID 50984138) has the molecular formula C8H11N5O2 and a molecular weight of 209.21 g/mol. Its IUPAC name is 3-(2-methoxyethyl)-5-(1,2,4-triazol-4-ylmethyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(2-methoxyethyl)-5-(1,2,4-triazol-4-ylmethyl)-1,2,4-oxadiazole
PubChem CID50984138
Molecular FormulaC8H11N5O2
Molecular Weight209.21 g/mol
Exact Mass209.09
IUPAC Name3-(2-methoxyethyl)-5-(1,2,4-triazol-4-ylmethyl)-1,2,4-oxadiazole
SMILESCOCCc1noc(Cn2cnnc2)n1
InChIInChI=1S/C8H11N5O2/c1-14-3-2-7-11-8(15-12-7)4-13-5-9-10-6-13/h5-6H,2-4H2,1H3
InChIKeyXZYMOTMYYUMYOF-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-[[3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methyl]-1,2,4-oxadiazole
CID 56802652
3-(2-Methoxyethyl)-5-[[2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methyl]-1,2,4-oxadiazole
CID 56802733
Methyl 1-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-1,2,4-triazole-3-carboxylate
CID 72017912
1-[4-(2-methoxyethyl)-4H-1,2,4-triazol-3-yl]-N-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]methanamine
CID 118762857
N-[(3-isobutyl-1,2,4-oxadiazol-5-yl)methyl]-N-methyl-3-(4-methyl-4H-1,2,4-triazol-3-yl)propanamide
CID 124214405
(2S)-N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-1-(1,2,4-triazol-1-yl)propan-2-amine
CID 125439340
1-(4-ethyl-4H-1,2,4-triazol-3-yl)-N-{[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl}-N-methylmethanamine
CID 129608891
N-[(3-isobutyl-1,2,4-oxadiazol-5-yl)methyl]-N-methyl-2-(3-methyl-4H-1,2,4-triazol-4-yl)ethanamine
CID 129611417
1-(4-ethyl-4H-1,2,4-triazol-3-yl)-N-methyl-N-{[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl}methanamine
CID 129624340
N-methyl-1-(4-methyl-4H-1,2,4-triazol-3-yl)-N-{[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl}methanamine
CID 131904166
5-(2-methoxyethyl)-3-(4H-1,2,4-triazol-4-ylmethyl)-1,2,4-oxadiazole
CID 50964010
1-[(3-Propyl-1,2,4-oxadiazol-5-yl)methyl]-1,2,4-triazole-3-carbonitrile
CID 36817486

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyethyl)-5-(1,2,4-triazol-4-ylmethyl)-1,2,4-oxadiazole?
The IUPAC name of 3-(2-methoxyethyl)-5-(1,2,4-triazol-4-ylmethyl)-1,2,4-oxadiazole (CID 50984138) is 3-(2-methoxyethyl)-5-(1,2,4-triazol-4-ylmethyl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-(2-methoxyethyl)-5-(1,2,4-triazol-4-ylmethyl)-1,2,4-oxadiazole?
The canonical SMILES for 3-(2-methoxyethyl)-5-(1,2,4-triazol-4-ylmethyl)-1,2,4-oxadiazole is COCCc1noc(Cn2cnnc2)n1.
What is the InChIKey of 3-(2-methoxyethyl)-5-(1,2,4-triazol-4-ylmethyl)-1,2,4-oxadiazole?
The InChIKey is XZYMOTMYYUMYOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N5O2/c1-14-3-2-7-11-8(15-12-7)4-13-5-9-10-6-13/h5-6H,2-4H2,1H3.
What are the key properties of 3-(2-methoxyethyl)-5-(1,2,4-triazol-4-ylmethyl)-1,2,4-oxadiazole?
3-(2-methoxyethyl)-5-(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 3-(2-methoxyethyl)-5-(1,2,4-triazol-4-ylmethyl)-1,2,4-oxadiazole is sourced from PubChem (CID 50984138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).