3-[3-(1-methoxypropyl)-1,2,4-oxadiazol-5-yl]-2-methylphenol

C13H16N2O3 — CID 116733692

IUPAC3-[3-(1-methoxypropyl)-1,2,4-oxadiazol-5-yl]-2-methylphenol
SMILESCCC(OC)c1noc(-c2cccc(O)c2C)n1
InChIInChI=1S/C13H16N2O3/c1-4-11(17-3)12-14-13(18-15-12)9-6-5-7-10(16)8(9)2/h5-7,11,16H,4H2,1-3H3
InChIKeyRVRJJAHJGVIBMY-UHFFFAOYSA-N
MW248.28 g/mol
LogP2.85
Rot. Bonds4

About 3-[3-(1-methoxypropyl)-1,2,4-oxadiazol-5-yl]-2-methylphenol

3-[3-(1-methoxypropyl)-1,2,4-oxadiazol-5-yl]-2-methylphenol (PubChem CID 116733692) has the molecular formula C13H16N2O3 and a molecular weight of 248.28 g/mol. Its IUPAC name is 3-[3-(1-methoxypropyl)-1,2,4-oxadiazol-5-yl]-2-methylphenol.

Molecular Properties

Compound Name3-[3-(1-methoxypropyl)-1,2,4-oxadiazol-5-yl]-2-methylphenol
PubChem CID116733692
Molecular FormulaC13H16N2O3
Molecular Weight248.28 g/mol
Exact Mass248.12
IUPAC Name3-[3-(1-methoxypropyl)-1,2,4-oxadiazol-5-yl]-2-methylphenol
SMILESCCC(OC)c1noc(-c2cccc(O)c2C)n1
InChIInChI=1S/C13H16N2O3/c1-4-11(17-3)12-14-13(18-15-12)9-6-5-7-10(16)8(9)2/h5-7,11,16H,4H2,1-3H3
InChIKeyRVRJJAHJGVIBMY-UHFFFAOYSA-N
XLogP2.85
TPSA68.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[3-(1-methoxypropyl)-1,2,4-oxadiazol-5-yl]naphthalen-2-ol
CID 136965177
2-[3-(1-methoxypropyl)-1,2,4-oxadiazol-5-yl]-4-methylphenol
CID 136983308
2-[3-(1-methoxypropyl)-1,2,4-oxadiazol-5-yl]benzoic acid
CID 116704768
4-[3-(1-methoxypropyl)-1,2,4-oxadiazol-5-yl]-2-methylphenol
CID 136751285
2-[2-[3-(1-methoxypropyl)-1,2,4-oxadiazol-5-yl]phenyl]acetonitrile
CID 106527254
2-[2-[3-(1-methoxypropyl)-1,2,4-oxadiazol-5-yl]phenyl]-N-methylethanamine
CID 116701673
3-(1-methoxypropyl)-5-(1,2,3,4-tetrahydroisoquinolin-5-yl)-1,2,4-oxadiazole
CID 116701672
3-[3-[cyclopropyl(ethoxy)methyl]-1,2,4-oxadiazol-5-yl]-2-methylphenol
CID 116733875
3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]-2-methylphenol
CID 82830184
2-methyl-3-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]phenol
CID 82830538
3-[3-[ethyl(methyl)amino]-1,2,4-oxadiazol-5-yl]-2-methylphenol
CID 116809604
3-[3-(6-methoxypyridazin-3-yl)-1,2,4-oxadiazol-5-yl]-2-methylphenol
CID 103375357

Frequently Asked Questions

What is the IUPAC name of 3-[3-(1-methoxypropyl)-1,2,4-oxadiazol-5-yl]-2-methylphenol?
The IUPAC name of 3-[3-(1-methoxypropyl)-1,2,4-oxadiazol-5-yl]-2-methylphenol (CID 116733692) is 3-[3-(1-methoxypropyl)-1,2,4-oxadiazol-5-yl]-2-methylphenol.
What is the SMILES notation for 3-[3-(1-methoxypropyl)-1,2,4-oxadiazol-5-yl]-2-methylphenol?
The canonical SMILES for 3-[3-(1-methoxypropyl)-1,2,4-oxadiazol-5-yl]-2-methylphenol is CCC(OC)c1noc(-c2cccc(O)c2C)n1.
What is the InChIKey of 3-[3-(1-methoxypropyl)-1,2,4-oxadiazol-5-yl]-2-methylphenol?
The InChIKey is RVRJJAHJGVIBMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3/c1-4-11(17-3)12-14-13(18-15-12)9-6-5-7-10(16)8(9)2/h5-7,11,16H,4H2,1-3H3.
What are the key properties of 3-[3-(1-methoxypropyl)-1,2,4-oxadiazol-5-yl]-2-methylphenol?
3-[3-(1-methoxypropyl)-1,2,4-oxadiazol-5-yl]-2-methylphenol has a molecular weight of 248.28 g/mol, XLogP of 2.85, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(1-methoxypropyl)-1,2,4-oxadiazol-5-yl]-2-methylphenol is sourced from PubChem (CID 116733692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).