3-(5-ethoxypyrazin-2-yl)-5-[(2-phenyltriazol-4-yl)methyl]-1,2,4-oxadiazole

C17H15N7O2 — CID 155951237

IUPAC3-(5-ethoxypyrazin-2-yl)-5-[(2-phenyltriazol-4-yl)methyl]-1,2,4-oxadiazole
SMILESCCOc1cnc(-c2noc(Cc3cnn(-c4ccccc4)n3)n2)cn1
InChIInChI=1S/C17H15N7O2/c1-2-25-16-11-18-14(10-19-16)17-21-15(26-23-17)8-12-9-20-24(22-12)13-6-4-3-5-7-13/h3-7,9-11H,2,8H2,1H3
InChIKeyLOIRTAKXRYECMK-UHFFFAOYSA-N
MW349.35 g/mol
LogP2.10
Rot. Bonds6

About 3-(5-ethoxypyrazin-2-yl)-5-[(2-phenyltriazol-4-yl)methyl]-1,2,4-oxadiazole

3-(5-ethoxypyrazin-2-yl)-5-[(2-phenyltriazol-4-yl)methyl]-1,2,4-oxadiazole (PubChem CID 155951237) has the molecular formula C17H15N7O2 and a molecular weight of 349.35 g/mol. Its IUPAC name is 3-(5-ethoxypyrazin-2-yl)-5-[(2-phenyltriazol-4-yl)methyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(5-ethoxypyrazin-2-yl)-5-[(2-phenyltriazol-4-yl)methyl]-1,2,4-oxadiazole
PubChem CID155951237
Molecular FormulaC17H15N7O2
Molecular Weight349.35 g/mol
Exact Mass349.13
IUPAC Name3-(5-ethoxypyrazin-2-yl)-5-[(2-phenyltriazol-4-yl)methyl]-1,2,4-oxadiazole
SMILESCCOc1cnc(-c2noc(Cc3cnn(-c4ccccc4)n3)n2)cn1
InChIInChI=1S/C17H15N7O2/c1-2-25-16-11-18-14(10-19-16)17-21-15(26-23-17)8-12-9-20-24(22-12)13-6-4-3-5-7-13/h3-7,9-11H,2,8H2,1H3
InChIKeyLOIRTAKXRYECMK-UHFFFAOYSA-N
XLogP2.10
TPSA104.64 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.35
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

5-[(2-phenyltriazol-4-yl)methyl]-3-pyridazin-3-yl-1,2,4-oxadiazole
CID 155960569
5-[1-(2,2-difluorocyclopropyl)pyrazol-3-yl]-3-(5-ethoxypyrazin-2-yl)-1,2,4-oxadiazole
CID 167895250
5-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-3-(5-ethoxypyrazin-2-yl)-1,2,4-oxadiazole
CID 146133958
5-[[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]methyl]-3-phenyl-1,2,4-oxadiazole
CID 50838837
(2S)-N-[[3-(6-ethoxy-3-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]-2-pyrazol-1-ylpropanamide
CID 100759002
[4-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperazin-1-yl]-(2-phenyltriazol-4-yl)methanone
CID 90491287
ethyl 5-methyl-3-(2-phenyltriazol-4-yl)-1,2-oxazole-4-carboxylate
CID 24774502
2-phenyl-N-[2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]triazole-4-carboxamide
CID 71800611
(2S)-1-(4-methylpyrazol-1-yl)-N,N-bis[(2-phenyltriazol-4-yl)methyl]propan-2-amine
CID 95305041
(2-phenyltriazol-4-yl)methyl methanesulfonate
CID 102620900
2,5-dimethyl-N-[(2-phenyltriazol-4-yl)methyl]aniline
CID 29047782
2-[[3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]phenol
CID 80741141

Frequently Asked Questions

What is the IUPAC name of 3-(5-ethoxypyrazin-2-yl)-5-[(2-phenyltriazol-4-yl)methyl]-1,2,4-oxadiazole?
The IUPAC name of 3-(5-ethoxypyrazin-2-yl)-5-[(2-phenyltriazol-4-yl)methyl]-1,2,4-oxadiazole (CID 155951237) is 3-(5-ethoxypyrazin-2-yl)-5-[(2-phenyltriazol-4-yl)methyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-(5-ethoxypyrazin-2-yl)-5-[(2-phenyltriazol-4-yl)methyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-(5-ethoxypyrazin-2-yl)-5-[(2-phenyltriazol-4-yl)methyl]-1,2,4-oxadiazole is CCOc1cnc(-c2noc(Cc3cnn(-c4ccccc4)n3)n2)cn1.
What is the InChIKey of 3-(5-ethoxypyrazin-2-yl)-5-[(2-phenyltriazol-4-yl)methyl]-1,2,4-oxadiazole?
The InChIKey is LOIRTAKXRYECMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N7O2/c1-2-25-16-11-18-14(10-19-16)17-21-15(26-23-17)8-12-9-20-24(22-12)13-6-4-3-5-7-13/h3-7,9-11H,2,8H2,1H3.
What are the key properties of 3-(5-ethoxypyrazin-2-yl)-5-[(2-phenyltriazol-4-yl)methyl]-1,2,4-oxadiazole?
3-(5-ethoxypyrazin-2-yl)-5-[(2-phenyltriazol-4-yl)methyl]-1,2,4-oxadiazole has a molecular weight of 349.35 g/mol, XLogP of 2.10, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-ethoxypyrazin-2-yl)-5-[(2-phenyltriazol-4-yl)methyl]-1,2,4-oxadiazole is sourced from PubChem (CID 155951237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).