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

C14H11N3O2 — CID 63850087

IUPACphenyl-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methanol
SMILESOC(c1ccccc1)c1nc(-c2ccncc2)no1
InChIInChI=1S/C14H11N3O2/c18-12(10-4-2-1-3-5-10)14-16-13(17-19-14)11-6-8-15-9-7-11/h1-9,12,18H
InChIKeyBPGRKBXGNDFPNM-UHFFFAOYSA-N
MW253.26 g/mol
LogP2.21
Rot. Bonds3

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

phenyl-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methanol (PubChem CID 63850087) has the molecular formula C14H11N3O2 and a molecular weight of 253.26 g/mol. Its IUPAC name is phenyl-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methanol.

Molecular Properties

Compound Namephenyl-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methanol
PubChem CID63850087
Molecular FormulaC14H11N3O2
Molecular Weight253.26 g/mol
Exact Mass253.09
IUPAC Namephenyl-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methanol
SMILESOC(c1ccccc1)c1nc(-c2ccncc2)no1
InChIInChI=1S/C14H11N3O2/c18-12(10-4-2-1-3-5-10)14-16-13(17-19-14)11-6-8-15-9-7-11/h1-9,12,18H
InChIKeyBPGRKBXGNDFPNM-UHFFFAOYSA-N
XLogP2.21
TPSA72.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of phenyl-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methanol?
The IUPAC name of phenyl-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methanol (CID 63850087) is phenyl-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methanol.
What is the SMILES notation for phenyl-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methanol?
The canonical SMILES for phenyl-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methanol is OC(c1ccccc1)c1nc(-c2ccncc2)no1.
What is the InChIKey of phenyl-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methanol?
The InChIKey is BPGRKBXGNDFPNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O2/c18-12(10-4-2-1-3-5-10)14-16-13(17-19-14)11-6-8-15-9-7-11/h1-9,12,18H.
What are the key properties of phenyl-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methanol?
phenyl-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methanol has a molecular weight of 253.26 g/mol, XLogP of 2.21, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methanol is sourced from PubChem (CID 63850087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).