[3-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]piperidin-1-yl]-pyrazin-2-ylmethanone

C20H18N8O2 — CID 91892086

IUPAC[3-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]piperidin-1-yl]-pyrazin-2-ylmethanone
SMILESO=C(c1cnccn1)N1CCCC(n2cc(-c3nc(-c4ccccc4)no3)nn2)C1
InChIInChI=1S/C20H18N8O2/c29-20(16-11-21-8-9-22-16)27-10-4-7-15(12-27)28-13-17(24-26-28)19-23-18(25-30-19)14-5-2-1-3-6-14/h1-3,5-6,8-9,11,13,15H,4,7,10,12H2
InChIKeyJMYFVRHDIAFFTI-UHFFFAOYSA-N
MW402.42 g/mol
LogP2.26
Rot. Bonds4

About [3-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]piperidin-1-yl]-pyrazin-2-ylmethanone

[3-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]piperidin-1-yl]-pyrazin-2-ylmethanone (PubChem CID 91892086) has the molecular formula C20H18N8O2 and a molecular weight of 402.42 g/mol. Its IUPAC name is [3-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]piperidin-1-yl]-pyrazin-2-ylmethanone.

Molecular Properties

Compound Name[3-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]piperidin-1-yl]-pyrazin-2-ylmethanone
PubChem CID91892086
Molecular FormulaC20H18N8O2
Molecular Weight402.42 g/mol
Exact Mass402.16
IUPAC Name[3-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]piperidin-1-yl]-pyrazin-2-ylmethanone
SMILESO=C(c1cnccn1)N1CCCC(n2cc(-c3nc(-c4ccccc4)no3)nn2)C1
InChIInChI=1S/C20H18N8O2/c29-20(16-11-21-8-9-22-16)27-10-4-7-15(12-27)28-13-17(24-26-28)19-23-18(25-30-19)14-5-2-1-3-6-14/h1-3,5-6,8-9,11,13,15H,4,7,10,12H2
InChIKeyJMYFVRHDIAFFTI-UHFFFAOYSA-N
XLogP2.26
TPSA115.72 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.42
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

[(3S)-3-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]piperidin-1-yl]-pyridin-3-ylmethanone
CID 99757118
cyclopentyl-[(3S)-3-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]piperidin-1-yl]methanone
CID 99757164
cyclohexyl-[3-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]piperidin-1-yl]methanone
CID 91892076
(4-methoxyphenyl)-[3-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]piperidin-1-yl]methanone
CID 91908548
[3-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-pyrazin-2-ylmethanone
CID 87053040
furan-3-yl-[(3S)-3-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]pyrrolidin-1-yl]methanone
CID 99757540
(3,5-dimethylphenyl)-[(3S)-3-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]pyrrolidin-1-yl]methanone
CID 99757602
(3-chlorophenyl)-[(3S)-3-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]pyrrolidin-1-yl]methanone
CID 99757574
(3-methoxyphenyl)-[3-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]pyrrolidin-1-yl]methanone
CID 91892206
(3-methylthiophen-2-yl)-[(3R)-3-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]pyrrolidin-1-yl]methanone
CID 99757537
[3-(dimethylamino)phenyl]-[(3S)-3-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]pyrrolidin-1-yl]methanone
CID 99757592
3-[(3S)-3-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]pyrrolidine-1-carbonyl]benzonitrile
CID 99757556

Frequently Asked Questions

What is the IUPAC name of [3-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]piperidin-1-yl]-pyrazin-2-ylmethanone?
The IUPAC name of [3-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]piperidin-1-yl]-pyrazin-2-ylmethanone (CID 91892086) is [3-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]piperidin-1-yl]-pyrazin-2-ylmethanone.
What is the SMILES notation for [3-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]piperidin-1-yl]-pyrazin-2-ylmethanone?
The canonical SMILES for [3-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]piperidin-1-yl]-pyrazin-2-ylmethanone is O=C(c1cnccn1)N1CCCC(n2cc(-c3nc(-c4ccccc4)no3)nn2)C1.
What is the InChIKey of [3-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]piperidin-1-yl]-pyrazin-2-ylmethanone?
The InChIKey is JMYFVRHDIAFFTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N8O2/c29-20(16-11-21-8-9-22-16)27-10-4-7-15(12-27)28-13-17(24-26-28)19-23-18(25-30-19)14-5-2-1-3-6-14/h1-3,5-6,8-9,11,13,15H,4,7,10,12H2.
What are the key properties of [3-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]piperidin-1-yl]-pyrazin-2-ylmethanone?
[3-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]piperidin-1-yl]-pyrazin-2-ylmethanone has a molecular weight of 402.42 g/mol, XLogP of 2.26, 4 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]piperidin-1-yl]-pyrazin-2-ylmethanone is sourced from PubChem (CID 91892086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).