3-[5-(6-methyl-2-pyridinyl)-1,2,4-oxadiazol-3-yl]phenol

C14H11N3O2 — CID 43120309

IUPAC3-[5-(6-methyl-2-pyridinyl)-1,2,4-oxadiazol-3-yl]phenol
SMILESCc1cccc(-c2nc(-c3cccc(O)c3)no2)n1
InChIInChI=1S/C14H11N3O2/c1-9-4-2-7-12(15-9)14-16-13(17-19-14)10-5-3-6-11(18)8-10/h2-8,18H,1H3
InChIKeyWVGSXZSEQQEXKH-UHFFFAOYSA-N
MW253.26 g/mol
LogP2.81
Rot. Bonds2

About 3-[5-(6-methyl-2-pyridinyl)-1,2,4-oxadiazol-3-yl]phenol

3-[5-(6-methyl-2-pyridinyl)-1,2,4-oxadiazol-3-yl]phenol (PubChem CID 43120309) has the molecular formula C14H11N3O2 and a molecular weight of 253.26 g/mol. Its IUPAC name is 3-[5-(6-methyl-2-pyridinyl)-1,2,4-oxadiazol-3-yl]phenol.

Molecular Properties

Compound Name3-[5-(6-methyl-2-pyridinyl)-1,2,4-oxadiazol-3-yl]phenol
PubChem CID43120309
Molecular FormulaC14H11N3O2
Molecular Weight253.26 g/mol
Exact Mass253.09
IUPAC Name3-[5-(6-methyl-2-pyridinyl)-1,2,4-oxadiazol-3-yl]phenol
SMILESCc1cccc(-c2nc(-c3cccc(O)c3)no2)n1
InChIInChI=1S/C14H11N3O2/c1-9-4-2-7-12(15-9)14-16-13(17-19-14)10-5-3-6-11(18)8-10/h2-8,18H,1H3
InChIKeyWVGSXZSEQQEXKH-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

3-[5-(1,3-thiazol-4-yl)-1,2,4-oxadiazol-3-yl]phenol
CID 63022523
3-[5-(5-methyl-1,2-oxazol-4-yl)-1,2,4-oxadiazol-3-yl]phenol
CID 43120312
3-[5-(2-amino-1,3-thiazol-4-yl)-1,2,4-oxadiazol-3-yl]phenol
CID 107921126
2-[3-(3-hydroxyphenyl)-1,2,4-oxadiazol-5-yl]phenol
CID 136809760
3-[5-(5-bromo-2-pyridinyl)-1,2,4-oxadiazol-3-yl]phenol
CID 55152491
3-[5-(2-methylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]phenol
CID 62920980
3-[5-[2-(1-aminoethyl)-1,3-thiazol-4-yl]-1,2,4-oxadiazol-3-yl]phenol
CID 107921033
3-[5-(methylamino)-1,2,4-oxadiazol-3-yl]phenol
CID 107921953
2-amino-4-[3-(3-hydroxyphenyl)-1,2,4-oxadiazol-5-yl]phenol
CID 136888758
3-[3-(2-methylpyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]phenol
CID 115531546
2-fluoro-4-[5-(3-hydroxyphenyl)-1,2,4-oxadiazol-3-yl]phenol
CID 136871097
3-[3-(2-methylfuran-3-yl)-1,2,4-oxadiazol-5-yl]phenol
CID 104791040

Frequently Asked Questions

What is the IUPAC name of 3-[5-(6-methyl-2-pyridinyl)-1,2,4-oxadiazol-3-yl]phenol?
The IUPAC name of 3-[5-(6-methyl-2-pyridinyl)-1,2,4-oxadiazol-3-yl]phenol (CID 43120309) is 3-[5-(6-methyl-2-pyridinyl)-1,2,4-oxadiazol-3-yl]phenol.
What is the SMILES notation for 3-[5-(6-methyl-2-pyridinyl)-1,2,4-oxadiazol-3-yl]phenol?
The canonical SMILES for 3-[5-(6-methyl-2-pyridinyl)-1,2,4-oxadiazol-3-yl]phenol is Cc1cccc(-c2nc(-c3cccc(O)c3)no2)n1.
What is the InChIKey of 3-[5-(6-methyl-2-pyridinyl)-1,2,4-oxadiazol-3-yl]phenol?
The InChIKey is WVGSXZSEQQEXKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O2/c1-9-4-2-7-12(15-9)14-16-13(17-19-14)10-5-3-6-11(18)8-10/h2-8,18H,1H3.
What are the key properties of 3-[5-(6-methyl-2-pyridinyl)-1,2,4-oxadiazol-3-yl]phenol?
3-[5-(6-methyl-2-pyridinyl)-1,2,4-oxadiazol-3-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 3-[5-(6-methyl-2-pyridinyl)-1,2,4-oxadiazol-3-yl]phenol is sourced from PubChem (CID 43120309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).