3-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]phenol

C13H10N4O2 — CID 63845058

IUPAC3-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]phenol
SMILESOc1cccc(Cc2nc(-c3cnccn3)no2)c1
InChIInChI=1S/C13H10N4O2/c18-10-3-1-2-9(6-10)7-12-16-13(17-19-12)11-8-14-4-5-15-11/h1-6,8,18H,7H2
InChIKeyPXZPAFWJHZVGQV-UHFFFAOYSA-N
MW254.25 g/mol
LogP1.82
Rot. Bonds3

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

3-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]phenol (PubChem CID 63845058) has the molecular formula C13H10N4O2 and a molecular weight of 254.25 g/mol. Its IUPAC name is 3-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]phenol.

Molecular Properties

Compound Name3-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]phenol
PubChem CID63845058
Molecular FormulaC13H10N4O2
Molecular Weight254.25 g/mol
Exact Mass254.08
IUPAC Name3-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]phenol
SMILESOc1cccc(Cc2nc(-c3cnccn3)no2)c1
InChIInChI=1S/C13H10N4O2/c18-10-3-1-2-9(6-10)7-12-16-13(17-19-12)11-8-14-4-5-15-11/h1-6,8,18H,7H2
InChIKeyPXZPAFWJHZVGQV-UHFFFAOYSA-N
XLogP1.82
TPSA84.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.25
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]phenol
CID 79718111
(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methanol
CID 63758301
3-[[3-(3,5-difluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]phenol
CID 63845617
3-[[3-(4-bromo-2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]phenol
CID 103084122
3-[5-[(3-chlorophenyl)methyl]-1,2,4-oxadiazol-3-yl]phenol
CID 62505666
N-[2-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]-2-[3-(trifluoromethyl)phenyl]acetamide
CID 121129867
5-(chloromethyl)-3-(6-pyrazin-2-yl-2-pyridinyl)-1,2,4-oxadiazole
CID 178100910
1-[5-[(3-hydroxyphenyl)methyl]-1,2,4-oxadiazol-3-yl]propan-2-one
CID 115078829
3-[[3-(2-aminoethyl)-1,2,4-oxadiazol-5-yl]methyl]phenol
CID 115078870
1-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)butan-2-ol
CID 63345918
4-methyl-N-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]aniline
CID 60836264
5-(2-indol-1-ylethyl)-3-pyrazin-2-yl-1,2,4-oxadiazole
CID 71859081

Frequently Asked Questions

What is the IUPAC name of 3-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]phenol?
The IUPAC name of 3-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]phenol (CID 63845058) is 3-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]phenol.
What is the SMILES notation for 3-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]phenol?
The canonical SMILES for 3-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]phenol is Oc1cccc(Cc2nc(-c3cnccn3)no2)c1.
What is the InChIKey of 3-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]phenol?
The InChIKey is PXZPAFWJHZVGQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N4O2/c18-10-3-1-2-9(6-10)7-12-16-13(17-19-12)11-8-14-4-5-15-11/h1-6,8,18H,7H2.
What are the key properties of 3-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]phenol?
3-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]phenol has a molecular weight of 254.25 g/mol, XLogP of 1.82, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]phenol is sourced from PubChem (CID 63845058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).