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

C14H11N3O3 — CID 62876336

IUPAC3-[5-(2-methoxy-3-pyridinyl)-1,2,4-oxadiazol-3-yl]phenol
SMILESCOc1ncccc1-c1nc(-c2cccc(O)c2)no1
InChIInChI=1S/C14H11N3O3/c1-19-13-11(6-3-7-15-13)14-16-12(17-20-14)9-4-2-5-10(18)8-9/h2-8,18H,1H3
InChIKeyKDZHXMKMGPWRTJ-UHFFFAOYSA-N
MW269.26 g/mol
LogP2.51
Rot. Bonds3

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

3-[5-(2-methoxy-3-pyridinyl)-1,2,4-oxadiazol-3-yl]phenol (PubChem CID 62876336) has the molecular formula C14H11N3O3 and a molecular weight of 269.26 g/mol. Its IUPAC name is 3-[5-(2-methoxy-3-pyridinyl)-1,2,4-oxadiazol-3-yl]phenol.

Molecular Properties

Compound Name3-[5-(2-methoxy-3-pyridinyl)-1,2,4-oxadiazol-3-yl]phenol
PubChem CID62876336
Molecular FormulaC14H11N3O3
Molecular Weight269.26 g/mol
Exact Mass269.08
IUPAC Name3-[5-(2-methoxy-3-pyridinyl)-1,2,4-oxadiazol-3-yl]phenol
SMILESCOc1ncccc1-c1nc(-c2cccc(O)c2)no1
InChIInChI=1S/C14H11N3O3/c1-19-13-11(6-3-7-15-13)14-16-12(17-20-14)9-4-2-5-10(18)8-9/h2-8,18H,1H3
InChIKeyKDZHXMKMGPWRTJ-UHFFFAOYSA-N
XLogP2.51
TPSA81.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.26
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[3-(3-hydroxyphenyl)-1,2,4-oxadiazol-5-yl]phenol
CID 136809760
3-[5-(3-amino-2-pyridinyl)-1,2,4-oxadiazol-3-yl]phenol
CID 107921047
5-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]benzene-1,3-diol
CID 107706529
3-[5-(5-methyl-1,2-oxazol-4-yl)-1,2,4-oxadiazol-3-yl]phenol
CID 43120312
4-[3-(3-hydroxyphenyl)-1,2,4-oxadiazol-5-yl]-2-methoxyphenol
CID 136889520
2-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]benzene-1,4-diol
CID 136904028
3-[5-(3-bromo-2-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenol
CID 106704216
3-[5-(3-chloro-2-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenol
CID 80979825
3-[5-[2-(4-methylsulfonylpiperidin-1-yl)-3-pyridinyl]-1,2,4-oxadiazol-3-yl]phenol
CID 143794018
3-[5-(2-methylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]phenol
CID 62920980
1-[3-[3-(3-hydroxyphenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperidine-4-carboxamide
CID 143793952
3-[5-(2-nitrophenyl)-1,2,4-oxadiazol-3-yl]phenol
CID 28942061

Frequently Asked Questions

What is the IUPAC name of 3-[5-(2-methoxy-3-pyridinyl)-1,2,4-oxadiazol-3-yl]phenol?
The IUPAC name of 3-[5-(2-methoxy-3-pyridinyl)-1,2,4-oxadiazol-3-yl]phenol (CID 62876336) is 3-[5-(2-methoxy-3-pyridinyl)-1,2,4-oxadiazol-3-yl]phenol.
What is the SMILES notation for 3-[5-(2-methoxy-3-pyridinyl)-1,2,4-oxadiazol-3-yl]phenol?
The canonical SMILES for 3-[5-(2-methoxy-3-pyridinyl)-1,2,4-oxadiazol-3-yl]phenol is COc1ncccc1-c1nc(-c2cccc(O)c2)no1.
What is the InChIKey of 3-[5-(2-methoxy-3-pyridinyl)-1,2,4-oxadiazol-3-yl]phenol?
The InChIKey is KDZHXMKMGPWRTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O3/c1-19-13-11(6-3-7-15-13)14-16-12(17-20-14)9-4-2-5-10(18)8-9/h2-8,18H,1H3.
What are the key properties of 3-[5-(2-methoxy-3-pyridinyl)-1,2,4-oxadiazol-3-yl]phenol?
3-[5-(2-methoxy-3-pyridinyl)-1,2,4-oxadiazol-3-yl]phenol has a molecular weight of 269.26 g/mol, XLogP of 2.51, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(2-methoxy-3-pyridinyl)-1,2,4-oxadiazol-3-yl]phenol is sourced from PubChem (CID 62876336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).