3-(6-phenoxy-3-pyridinyl)-5-[2-(1H-1,2,4-triazol-5-yl)ethyl]-1,2,4-oxadiazole

C17H14N6O2 — CID 166219191

IUPAC3-(6-phenoxy-3-pyridinyl)-5-[2-(1H-1,2,4-triazol-5-yl)ethyl]-1,2,4-oxadiazole
SMILESc1ccc(Oc2ccc(-c3noc(CCc4ncn[nH]4)n3)cn2)cc1
InChIInChI=1S/C17H14N6O2/c1-2-4-13(5-3-1)24-15-8-6-12(10-18-15)17-21-16(25-23-17)9-7-14-19-11-20-22-14/h1-6,8,10-11H,7,9H2,(H,19,20,22)
InChIKeySODNTHQSHZQTHC-UHFFFAOYSA-N
MW334.34 g/mol
LogP2.83
Rot. Bonds6

About 3-(6-phenoxy-3-pyridinyl)-5-[2-(1H-1,2,4-triazol-5-yl)ethyl]-1,2,4-oxadiazole

3-(6-phenoxy-3-pyridinyl)-5-[2-(1H-1,2,4-triazol-5-yl)ethyl]-1,2,4-oxadiazole (PubChem CID 166219191) has the molecular formula C17H14N6O2 and a molecular weight of 334.34 g/mol. Its IUPAC name is 3-(6-phenoxy-3-pyridinyl)-5-[2-(1H-1,2,4-triazol-5-yl)ethyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(6-phenoxy-3-pyridinyl)-5-[2-(1H-1,2,4-triazol-5-yl)ethyl]-1,2,4-oxadiazole
PubChem CID166219191
Molecular FormulaC17H14N6O2
Molecular Weight334.34 g/mol
Exact Mass334.12
IUPAC Name3-(6-phenoxy-3-pyridinyl)-5-[2-(1H-1,2,4-triazol-5-yl)ethyl]-1,2,4-oxadiazole
SMILESc1ccc(Oc2ccc(-c3noc(CCc4ncn[nH]4)n3)cn2)cc1
InChIInChI=1S/C17H14N6O2/c1-2-4-13(5-3-1)24-15-8-6-12(10-18-15)17-21-16(25-23-17)9-7-14-19-11-20-22-14/h1-6,8,10-11H,7,9H2,(H,19,20,22)
InChIKeySODNTHQSHZQTHC-UHFFFAOYSA-N
XLogP2.83
TPSA102.61 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.34
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-(6-phenoxy-3-pyridinyl)-5-[2-(1H-1,2,4-triazol-5-yl)ethyl]-1,2,4-oxadiazole with MolForge

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Related Compounds

5-(2-phenylethyl)-3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazole
CID 62944633
5-[(1S,2R,4S)-7-oxabicyclo[2.2.1]heptan-2-yl]-3-(6-phenoxy-3-pyridinyl)-1,2,4-oxadiazole
CID 98359796
3-(4-methylphenyl)-5-(3-phenoxypropyl)-1,2,4-oxadiazole
CID 2995458
3-[5-(2-phenoxyethyl)-1,2,4-oxadiazol-3-yl]aniline
CID 43525276
2-[3-(3-phenoxyphenyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 23008142
1-[4-[5-[6-(4-phenoxyphenoxy)-3-pyridinyl]-1,2,4-oxadiazol-3-yl]phenyl]-1,3-diazinan-2-one
CID 166378743
3-(4-chlorophenyl)-5-(2-phenylethyl)-1,2,4-oxadiazole
CID 874863
5-[2-(1H-benzimidazol-2-yl)ethyl]-3-(4-methoxyphenyl)-1,2,4-oxadiazole
CID 42536763
3-[6-(4-fluorophenoxy)-3-pyridinyl]-5-[(4-methylpiperazin-1-yl)-phenylmethyl]-1,2,4-oxadiazole
CID 102563402
3-(3-methoxyphenyl)-5-(2-phenylethyl)-1,2,4-oxadiazole
CID 2989886
2-(6-phenoxy-3-pyridinyl)-1H-indole
CID 150235769
3-methyl-5-[2-[3-(2-phenoxy-3-pyridinyl)-1,2,4-oxadiazol-5-yl]ethyl]-1,2,4-oxadiazole
CID 71973500

Frequently Asked Questions

What is the IUPAC name of 3-(6-phenoxy-3-pyridinyl)-5-[2-(1H-1,2,4-triazol-5-yl)ethyl]-1,2,4-oxadiazole?
The IUPAC name of 3-(6-phenoxy-3-pyridinyl)-5-[2-(1H-1,2,4-triazol-5-yl)ethyl]-1,2,4-oxadiazole (CID 166219191) is 3-(6-phenoxy-3-pyridinyl)-5-[2-(1H-1,2,4-triazol-5-yl)ethyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-(6-phenoxy-3-pyridinyl)-5-[2-(1H-1,2,4-triazol-5-yl)ethyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-(6-phenoxy-3-pyridinyl)-5-[2-(1H-1,2,4-triazol-5-yl)ethyl]-1,2,4-oxadiazole is c1ccc(Oc2ccc(-c3noc(CCc4ncn[nH]4)n3)cn2)cc1.
What is the InChIKey of 3-(6-phenoxy-3-pyridinyl)-5-[2-(1H-1,2,4-triazol-5-yl)ethyl]-1,2,4-oxadiazole?
The InChIKey is SODNTHQSHZQTHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N6O2/c1-2-4-13(5-3-1)24-15-8-6-12(10-18-15)17-21-16(25-23-17)9-7-14-19-11-20-22-14/h1-6,8,10-11H,7,9H2,(H,19,20,22).
What are the key properties of 3-(6-phenoxy-3-pyridinyl)-5-[2-(1H-1,2,4-triazol-5-yl)ethyl]-1,2,4-oxadiazole?
3-(6-phenoxy-3-pyridinyl)-5-[2-(1H-1,2,4-triazol-5-yl)ethyl]-1,2,4-oxadiazole has a molecular weight of 334.34 g/mol, XLogP of 2.83, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-phenoxy-3-pyridinyl)-5-[2-(1H-1,2,4-triazol-5-yl)ethyl]-1,2,4-oxadiazole is sourced from PubChem (CID 166219191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).