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

C8H7N3O2 — CID 37134678

IUPAC(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methanol
SMILESOCc1nc(-c2ccncc2)no1
InChIInChI=1S/C8H7N3O2/c12-5-7-10-8(11-13-7)6-1-3-9-4-2-6/h1-4,12H,5H2
InChIKeyZINMZWYBMIZQEP-UHFFFAOYSA-N
MW177.16 g/mol
LogP0.62
Rot. Bonds2

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

(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methanol (PubChem CID 37134678) has the molecular formula C8H7N3O2 and a molecular weight of 177.16 g/mol. Its IUPAC name is (3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methanol.

Molecular Properties

Compound Name(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methanol
PubChem CID37134678
Molecular FormulaC8H7N3O2
Molecular Weight177.16 g/mol
Exact Mass177.05
IUPAC Name(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methanol
SMILESOCc1nc(-c2ccncc2)no1
InChIInChI=1S/C8H7N3O2/c12-5-7-10-8(11-13-7)6-1-3-9-4-2-6/h1-4,12H,5H2
InChIKeyZINMZWYBMIZQEP-UHFFFAOYSA-N
XLogP0.62
TPSA72.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.16
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methylcarbamic acid
CID 69190964
5-[(4-methylphenyl)methyl]-3-pyridin-4-yl-1,2,4-oxadiazole
CID 895193
(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methanol
CID 63758301
1-cyclopropyl-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]methanamine
CID 43655500
5-(2,2-diphenylethyl)-3-pyridin-4-yl-1,2,4-oxadiazole
CID 752713
5-(cyclohexylmethyl)-3-pyridin-4-yl-1,2,4-oxadiazole
CID 667308
4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)butan-2-amine
CID 63347367
3,3-dimethyl-1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)butan-2-amine
CID 63347365
(2R)-2-[3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanoylamino]propanoic acid
CID 119369964
1-cyclopropyl-2-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)ethanamine
CID 55203184
5-butan-2-yl-3-pyridin-4-yl-1,2,4-oxadiazole
CID 91114628
N-methyl-1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methanamine;bis(2,2,2-trifluoroacetic acid)
CID 75530724

Frequently Asked Questions

What is the IUPAC name of (3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methanol?
The IUPAC name of (3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methanol (CID 37134678) is (3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methanol.
What is the SMILES notation for (3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methanol?
The canonical SMILES for (3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methanol is OCc1nc(-c2ccncc2)no1.
What is the InChIKey of (3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methanol?
The InChIKey is ZINMZWYBMIZQEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N3O2/c12-5-7-10-8(11-13-7)6-1-3-9-4-2-6/h1-4,12H,5H2.
What are the key properties of (3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methanol?
(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methanol has a molecular weight of 177.16 g/mol, XLogP of 0.62, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methanol is sourced from PubChem (CID 37134678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).