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

C14H11N3O2 — CID 135429367

IUPAC2-[3-(3-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]phenol
SMILESCc1cccnc1-c1noc(-c2ccccc2O)n1
InChIInChI=1S/C14H11N3O2/c1-9-5-4-8-15-12(9)13-16-14(19-17-13)10-6-2-3-7-11(10)18/h2-8,18H,1H3
InChIKeyJAIQEODURKDZLG-UHFFFAOYSA-N
MW253.26 g/mol
LogP2.81
Rot. Bonds2

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

2-[3-(3-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]phenol (PubChem CID 135429367) has the molecular formula C14H11N3O2 and a molecular weight of 253.26 g/mol. Its IUPAC name is 2-[3-(3-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]phenol.

Molecular Properties

Compound Name2-[3-(3-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]phenol
PubChem CID135429367
Molecular FormulaC14H11N3O2
Molecular Weight253.26 g/mol
Exact Mass253.09
IUPAC Name2-[3-(3-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]phenol
SMILESCc1cccnc1-c1noc(-c2ccccc2O)n1
InChIInChI=1S/C14H11N3O2/c1-9-5-4-8-15-12(9)13-16-14(19-17-13)10-6-2-3-7-11(10)18/h2-8,18H,1H3
InChIKeyJAIQEODURKDZLG-UHFFFAOYSA-N
XLogP2.81
TPSA72.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[5-(2-Ethoxyphenyl)-1,2,4-oxadiazol-3-yl]pyridine
CID 891438
2-[5-(4-Methylphenyl)-1,2,4-oxadiazol-3-yl]pyridine
CID 763882
N-[4-[(E)-2-[(5Z)-5-(6-oxocyclohexa-2,4-dien-1-ylidene)-2H-1,2,4-oxadiazol-3-yl]ethenyl]phenyl]acetamide
CID 135419176
2-(5-o-Tolyl-[1,2,4]oxadiazol-3-yl)-pyridine
CID 700561
2-[5-(3-Methoxy-phenyl)-[1,2,4]oxadiazol-3-yl]-pyridine
CID 789864
4-[3-(2-Methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyridine
CID 1872802
3-(Pyridin-2-yl)-5-(3-methylphenyl)-1,2,4-oxadiazole
CID 3156022
3-(2-Pyridyl)-5-(3-fluorophenyl)-1,2,4-oxadiazole
CID 6463470
3-(Pyridin-2-yl)-5-(3,5-difluorophenyl)-1,2,4-oxadiazole
CID 9881610
3-(2-Methoxy-6-methyl-3-pyridinyl)-5-(2-methoxyphenyl)-1,2,4-oxadiazole
CID 913814
Phenol, 2-[3-[2-[4-(dimethylamino)phenyl]ethenyl]-1,2,4-oxadiazol-5-yl]-
CID 5296010
2-(5-Phenyl-1,2,4-oxadiazol-3-yl)pyridine
CID 763880

Frequently Asked Questions

What is the IUPAC name of 2-[3-(3-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]phenol?
The IUPAC name of 2-[3-(3-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]phenol (CID 135429367) is 2-[3-(3-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]phenol.
What is the SMILES notation for 2-[3-(3-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]phenol?
The canonical SMILES for 2-[3-(3-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]phenol is Cc1cccnc1-c1noc(-c2ccccc2O)n1.
What is the InChIKey of 2-[3-(3-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]phenol?
The InChIKey is JAIQEODURKDZLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O2/c1-9-5-4-8-15-12(9)13-16-14(19-17-13)10-6-2-3-7-11(10)18/h2-8,18H,1H3.
What are the key properties of 2-[3-(3-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]phenol?
2-[3-(3-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]phenol has a molecular weight of 253.26 g/mol, XLogP of 2.81, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]phenol is sourced from PubChem (CID 135429367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).