(5-pyrimidin-5-yl-1,2,4-oxadiazol-3-yl)methanol

C7H6N4O2 — CID 102922045

IUPAC(5-pyrimidin-5-yl-1,2,4-oxadiazol-3-yl)methanol
SMILESOCc1noc(-c2cncnc2)n1
InChIInChI=1S/C7H6N4O2/c12-3-6-10-7(13-11-6)5-1-8-4-9-2-5/h1-2,4,12H,3H2
InChIKeyZJUDDRBFZOJYRB-UHFFFAOYSA-N
MW178.15 g/mol
LogP0.02
Rot. Bonds2

About (5-pyrimidin-5-yl-1,2,4-oxadiazol-3-yl)methanol

(5-pyrimidin-5-yl-1,2,4-oxadiazol-3-yl)methanol (PubChem CID 102922045) has the molecular formula C7H6N4O2 and a molecular weight of 178.15 g/mol. Its IUPAC name is (5-pyrimidin-5-yl-1,2,4-oxadiazol-3-yl)methanol.

Molecular Properties

Compound Name(5-pyrimidin-5-yl-1,2,4-oxadiazol-3-yl)methanol
PubChem CID102922045
Molecular FormulaC7H6N4O2
Molecular Weight178.15 g/mol
Exact Mass178.05
IUPAC Name(5-pyrimidin-5-yl-1,2,4-oxadiazol-3-yl)methanol
SMILESOCc1noc(-c2cncnc2)n1
InChIInChI=1S/C7H6N4O2/c12-3-6-10-7(13-11-6)5-1-8-4-9-2-5/h1-2,4,12H,3H2
InChIKeyZJUDDRBFZOJYRB-UHFFFAOYSA-N
XLogP0.02
TPSA84.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.15
LogP ≤ 50.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[5-(3,4-dichlorophenyl)-1,2,4-oxadiazol-3-yl]methanol
CID 2726656
5-pyrimidin-5-yl-1,2,4-oxadiazole-3-carboxylic acid
CID 102922619
[5-(2H-triazol-4-yl)-1,2,4-oxadiazol-3-yl]methanol
CID 102660324
[5-(2-bromofuran-3-yl)-1,2,4-oxadiazol-3-yl]methanol
CID 106854843
[5-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-3-yl]methanol
CID 23205017
[5-(5-methyl-1H-pyrazol-4-yl)-1,2,4-oxadiazol-3-yl]methanol
CID 136817942
[5-(2,6-dichlorophenyl)-1,2,4-oxadiazol-3-yl]methanol
CID 102660381
[5-(2-bromo-3-fluorophenyl)-1,2,4-oxadiazol-3-yl]methanol
CID 102660504
[5-(2-bromo-4-fluorophenyl)-1,2,4-oxadiazol-3-yl]methanol
CID 102660255
5-[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]pyridin-3-ol
CID 63845583
[5-(2,4-dimethylphenyl)-1,2,4-oxadiazol-3-yl]methanol
CID 90939332
[5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,2,4-oxadiazol-3-yl]methanol
CID 58833256

Frequently Asked Questions

What is the IUPAC name of (5-pyrimidin-5-yl-1,2,4-oxadiazol-3-yl)methanol?
The IUPAC name of (5-pyrimidin-5-yl-1,2,4-oxadiazol-3-yl)methanol (CID 102922045) is (5-pyrimidin-5-yl-1,2,4-oxadiazol-3-yl)methanol.
What is the SMILES notation for (5-pyrimidin-5-yl-1,2,4-oxadiazol-3-yl)methanol?
The canonical SMILES for (5-pyrimidin-5-yl-1,2,4-oxadiazol-3-yl)methanol is OCc1noc(-c2cncnc2)n1.
What is the InChIKey of (5-pyrimidin-5-yl-1,2,4-oxadiazol-3-yl)methanol?
The InChIKey is ZJUDDRBFZOJYRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N4O2/c12-3-6-10-7(13-11-6)5-1-8-4-9-2-5/h1-2,4,12H,3H2.
What are the key properties of (5-pyrimidin-5-yl-1,2,4-oxadiazol-3-yl)methanol?
(5-pyrimidin-5-yl-1,2,4-oxadiazol-3-yl)methanol has a molecular weight of 178.15 g/mol, XLogP of 0.02, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5-pyrimidin-5-yl-1,2,4-oxadiazol-3-yl)methanol is sourced from PubChem (CID 102922045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).