[1-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]-3-thiophen-2-ylpyrazol-4-yl]methanol

C15H12N6O2S — CID 56898289

IUPAC[1-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]-3-thiophen-2-ylpyrazol-4-yl]methanol
SMILESOCc1cn(Cc2nc(-c3cnccn3)no2)nc1-c1cccs1
InChIInChI=1S/C15H12N6O2S/c22-9-10-7-21(19-14(10)12-2-1-5-24-12)8-13-18-15(20-23-13)11-6-16-3-4-17-11/h1-7,22H,8-9H2
InChIKeyQFILULHWERQJJF-UHFFFAOYSA-N
MW340.37 g/mol
LogP1.99
Rot. Bonds5

About [1-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]-3-thiophen-2-ylpyrazol-4-yl]methanol

[1-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]-3-thiophen-2-ylpyrazol-4-yl]methanol (PubChem CID 56898289) has the molecular formula C15H12N6O2S and a molecular weight of 340.37 g/mol. Its IUPAC name is [1-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]-3-thiophen-2-ylpyrazol-4-yl]methanol.

Molecular Properties

Compound Name[1-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]-3-thiophen-2-ylpyrazol-4-yl]methanol
PubChem CID56898289
Molecular FormulaC15H12N6O2S
Molecular Weight340.37 g/mol
Exact Mass340.07
IUPAC Name[1-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]-3-thiophen-2-ylpyrazol-4-yl]methanol
SMILESOCc1cn(Cc2nc(-c3cnccn3)no2)nc1-c1cccs1
InChIInChI=1S/C15H12N6O2S/c22-9-10-7-21(19-14(10)12-2-1-5-24-12)8-13-18-15(20-23-13)11-6-16-3-4-17-11/h1-7,22H,8-9H2
InChIKeyQFILULHWERQJJF-UHFFFAOYSA-N
XLogP1.99
TPSA102.75 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.37
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze [1-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]-3-thiophen-2-ylpyrazol-4-yl]methanol with MolForge

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Related Compounds

(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methanol
CID 63758301
5-[(4-bromoimidazol-1-yl)methyl]-3-pyrazin-2-yl-1,2,4-oxadiazole
CID 167843401
2-[4-(hydroxymethyl)-3-pyrazin-2-ylpyrazol-1-yl]acetonitrile
CID 121213349
2-[1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]triazol-4-yl]acetic acid
CID 107461289
[5-methyl-4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]morpholin-2-yl]methanol
CID 81213945
3-pyrazin-2-yl-5-[(4-pyridin-4-ylpiperidin-1-yl)methyl]-1,2,4-oxadiazole
CID 42521587
[1-[[4-[(2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methyl]-3-thiophen-2-ylpyrazol-4-yl]methanol
CID 69422251
3-pyrazin-2-yl-5-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1,2,4-oxadiazole
CID 86805292
ethane;propane;2-thiophen-2-ylpyrazine
CID 142831454
3-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]phenol
CID 63845058
[1-[[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methyl]-3-thiophen-2-ylpyrazol-4-yl]methanol
CID 69424441
5-(chloromethyl)-3-(6-pyrazin-2-yl-2-pyridinyl)-1,2,4-oxadiazole
CID 178100910

Frequently Asked Questions

What is the IUPAC name of [1-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]-3-thiophen-2-ylpyrazol-4-yl]methanol?
The IUPAC name of [1-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]-3-thiophen-2-ylpyrazol-4-yl]methanol (CID 56898289) is [1-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]-3-thiophen-2-ylpyrazol-4-yl]methanol.
What is the SMILES notation for [1-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]-3-thiophen-2-ylpyrazol-4-yl]methanol?
The canonical SMILES for [1-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]-3-thiophen-2-ylpyrazol-4-yl]methanol is OCc1cn(Cc2nc(-c3cnccn3)no2)nc1-c1cccs1.
What is the InChIKey of [1-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]-3-thiophen-2-ylpyrazol-4-yl]methanol?
The InChIKey is QFILULHWERQJJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N6O2S/c22-9-10-7-21(19-14(10)12-2-1-5-24-12)8-13-18-15(20-23-13)11-6-16-3-4-17-11/h1-7,22H,8-9H2.
What are the key properties of [1-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]-3-thiophen-2-ylpyrazol-4-yl]methanol?
[1-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]-3-thiophen-2-ylpyrazol-4-yl]methanol has a molecular weight of 340.37 g/mol, XLogP of 1.99, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]-3-thiophen-2-ylpyrazol-4-yl]methanol is sourced from PubChem (CID 56898289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).