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

C14H17N3O3 — CID 136880687

IUPAC2-methoxy-4-[5-(3-methylpyrrolidin-2-yl)-1,2,4-oxadiazol-3-yl]phenol
SMILESCOc1cc(-c2noc(C3NCCC3C)n2)ccc1O
InChIInChI=1S/C14H17N3O3/c1-8-5-6-15-12(8)14-16-13(17-20-14)9-3-4-10(18)11(7-9)19-2/h3-4,7-8,12,15,18H,5-6H2,1-2H3
InChIKeyJEYBROLOQPGFHT-UHFFFAOYSA-N
MW275.31 g/mol
LogP2.12
Rot. Bonds3

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

2-methoxy-4-[5-(3-methylpyrrolidin-2-yl)-1,2,4-oxadiazol-3-yl]phenol (PubChem CID 136880687) has the molecular formula C14H17N3O3 and a molecular weight of 275.31 g/mol. Its IUPAC name is 2-methoxy-4-[5-(3-methylpyrrolidin-2-yl)-1,2,4-oxadiazol-3-yl]phenol.

Molecular Properties

Compound Name2-methoxy-4-[5-(3-methylpyrrolidin-2-yl)-1,2,4-oxadiazol-3-yl]phenol
PubChem CID136880687
Molecular FormulaC14H17N3O3
Molecular Weight275.31 g/mol
Exact Mass275.13
IUPAC Name2-methoxy-4-[5-(3-methylpyrrolidin-2-yl)-1,2,4-oxadiazol-3-yl]phenol
SMILESCOc1cc(-c2noc(C3NCCC3C)n2)ccc1O
InChIInChI=1S/C14H17N3O3/c1-8-5-6-15-12(8)14-16-13(17-20-14)9-3-4-10(18)11(7-9)19-2/h3-4,7-8,12,15,18H,5-6H2,1-2H3
InChIKeyJEYBROLOQPGFHT-UHFFFAOYSA-N
XLogP2.12
TPSA80.41 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-[5-(3-methylpiperidin-2-yl)-1,2,4-oxadiazol-3-yl]benzene-1,2-diol
CID 136888941
2-methoxy-4-[5-[(2R,4S)-4-methoxypyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]phenol
CID 136879277
(2R,3S)-3-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-methylmorpholine
CID 120955679
3-(3-bromo-4-methylphenyl)-5-(3-methylpyrrolidin-2-yl)-1,2,4-oxadiazole
CID 107916391
4-[5-(3-methylpiperidin-2-yl)-1,2,4-oxadiazol-3-yl]phenol
CID 136896348
3-(3-methylphenyl)-5-(3-methylpyrrolidin-2-yl)-1,2,4-oxadiazole
CID 102780773
4-[5-(2-methylpiperidin-4-yl)-1,2,4-oxadiazol-3-yl]benzene-1,2-diol
CID 136888982
3-(furan-3-yl)-5-(3-methylpyrrolidin-2-yl)-1,2,4-oxadiazole
CID 102780947
3-(3,4-dimethoxyphenyl)-5-[(2S)-piperidin-2-yl]-1,2,4-oxadiazole
CID 93251332
3-(4-fluoro-3-methoxyphenyl)-5-piperidin-4-yl-1,2,4-oxadiazole
CID 82626483
5-cyclohexyl-3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazole
CID 957265
3-(1-benzofuran-2-yl)-5-(3-methylpyrrolidin-2-yl)-1,2,4-oxadiazole
CID 102780929

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-[5-(3-methylpyrrolidin-2-yl)-1,2,4-oxadiazol-3-yl]phenol?
The IUPAC name of 2-methoxy-4-[5-(3-methylpyrrolidin-2-yl)-1,2,4-oxadiazol-3-yl]phenol (CID 136880687) is 2-methoxy-4-[5-(3-methylpyrrolidin-2-yl)-1,2,4-oxadiazol-3-yl]phenol.
What is the SMILES notation for 2-methoxy-4-[5-(3-methylpyrrolidin-2-yl)-1,2,4-oxadiazol-3-yl]phenol?
The canonical SMILES for 2-methoxy-4-[5-(3-methylpyrrolidin-2-yl)-1,2,4-oxadiazol-3-yl]phenol is COc1cc(-c2noc(C3NCCC3C)n2)ccc1O.
What is the InChIKey of 2-methoxy-4-[5-(3-methylpyrrolidin-2-yl)-1,2,4-oxadiazol-3-yl]phenol?
The InChIKey is JEYBROLOQPGFHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3/c1-8-5-6-15-12(8)14-16-13(17-20-14)9-3-4-10(18)11(7-9)19-2/h3-4,7-8,12,15,18H,5-6H2,1-2H3.
What are the key properties of 2-methoxy-4-[5-(3-methylpyrrolidin-2-yl)-1,2,4-oxadiazol-3-yl]phenol?
2-methoxy-4-[5-(3-methylpyrrolidin-2-yl)-1,2,4-oxadiazol-3-yl]phenol has a molecular weight of 275.31 g/mol, XLogP of 2.12, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-[5-(3-methylpyrrolidin-2-yl)-1,2,4-oxadiazol-3-yl]phenol is sourced from PubChem (CID 136880687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).