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

C12H9N3O2 — CID 102660418

IUPAC(5-quinolin-4-yl-1,2,4-oxadiazol-3-yl)methanol
SMILESOCc1noc(-c2ccnc3ccccc23)n1
InChIInChI=1S/C12H9N3O2/c16-7-11-14-12(17-15-11)9-5-6-13-10-4-2-1-3-8(9)10/h1-6,16H,7H2
InChIKeyJVWODZHMRXHTFX-UHFFFAOYSA-N
MW227.22 g/mol
LogP1.78
Rot. Bonds2

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

(5-quinolin-4-yl-1,2,4-oxadiazol-3-yl)methanol (PubChem CID 102660418) has the molecular formula C12H9N3O2 and a molecular weight of 227.22 g/mol. Its IUPAC name is (5-quinolin-4-yl-1,2,4-oxadiazol-3-yl)methanol.

Molecular Properties

Compound Name(5-quinolin-4-yl-1,2,4-oxadiazol-3-yl)methanol
PubChem CID102660418
Molecular FormulaC12H9N3O2
Molecular Weight227.22 g/mol
Exact Mass227.07
IUPAC Name(5-quinolin-4-yl-1,2,4-oxadiazol-3-yl)methanol
SMILESOCc1noc(-c2ccnc3ccccc23)n1
InChIInChI=1S/C12H9N3O2/c16-7-11-14-12(17-15-11)9-5-6-13-10-4-2-1-3-8(9)10/h1-6,16H,7H2
InChIKeyJVWODZHMRXHTFX-UHFFFAOYSA-N
XLogP1.78
TPSA72.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.22
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (5-quinolin-4-yl-1,2,4-oxadiazol-3-yl)methanol?
The IUPAC name of (5-quinolin-4-yl-1,2,4-oxadiazol-3-yl)methanol (CID 102660418) is (5-quinolin-4-yl-1,2,4-oxadiazol-3-yl)methanol.
What is the SMILES notation for (5-quinolin-4-yl-1,2,4-oxadiazol-3-yl)methanol?
The canonical SMILES for (5-quinolin-4-yl-1,2,4-oxadiazol-3-yl)methanol is OCc1noc(-c2ccnc3ccccc23)n1.
What is the InChIKey of (5-quinolin-4-yl-1,2,4-oxadiazol-3-yl)methanol?
The InChIKey is JVWODZHMRXHTFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N3O2/c16-7-11-14-12(17-15-11)9-5-6-13-10-4-2-1-3-8(9)10/h1-6,16H,7H2.
What are the key properties of (5-quinolin-4-yl-1,2,4-oxadiazol-3-yl)methanol?
(5-quinolin-4-yl-1,2,4-oxadiazol-3-yl)methanol has a molecular weight of 227.22 g/mol, XLogP of 1.78, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-quinolin-4-yl-1,2,4-oxadiazol-3-yl)methanol is sourced from PubChem (CID 102660418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).