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

C13H16N2O3 — CID 136751285

IUPAC4-[3-(1-methoxypropyl)-1,2,4-oxadiazol-5-yl]-2-methylphenol
SMILESCCC(OC)c1noc(-c2ccc(O)c(C)c2)n1
InChIInChI=1S/C13H16N2O3/c1-4-11(17-3)12-14-13(18-15-12)9-5-6-10(16)8(2)7-9/h5-7,11,16H,4H2,1-3H3
InChIKeyVZQDXKQLZRRYBO-UHFFFAOYSA-N
MW248.28 g/mol
LogP2.85
Rot. Bonds4

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

4-[3-(1-methoxypropyl)-1,2,4-oxadiazol-5-yl]-2-methylphenol (PubChem CID 136751285) has the molecular formula C13H16N2O3 and a molecular weight of 248.28 g/mol. Its IUPAC name is 4-[3-(1-methoxypropyl)-1,2,4-oxadiazol-5-yl]-2-methylphenol.

Molecular Properties

Compound Name4-[3-(1-methoxypropyl)-1,2,4-oxadiazol-5-yl]-2-methylphenol
PubChem CID136751285
Molecular FormulaC13H16N2O3
Molecular Weight248.28 g/mol
Exact Mass248.12
IUPAC Name4-[3-(1-methoxypropyl)-1,2,4-oxadiazol-5-yl]-2-methylphenol
SMILESCCC(OC)c1noc(-c2ccc(O)c(C)c2)n1
InChIInChI=1S/C13H16N2O3/c1-4-11(17-3)12-14-13(18-15-12)9-5-6-10(16)8(2)7-9/h5-7,11,16H,4H2,1-3H3
InChIKeyVZQDXKQLZRRYBO-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

2-[3-(1-methoxypropyl)-1,2,4-oxadiazol-5-yl]-4-methylphenol
CID 136983308
3-[3-(1-methoxypropyl)-1,2,4-oxadiazol-5-yl]-2-methylphenol
CID 116733692
3-[3-(1-methoxypropyl)-1,2,4-oxadiazol-5-yl]naphthalen-2-ol
CID 136965177
4-[3-(1-methoxybutyl)-1,2,4-oxadiazol-5-yl]phenol
CID 136983312
2-amino-5-[3-(1-methoxybutyl)-1,2,4-oxadiazol-5-yl]phenol
CID 116702518
2-methyl-4-[3-(1-methylsulfonylethyl)-1,2,4-oxadiazol-5-yl]phenol
CID 136751281
5-[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]-2-methylphenol
CID 79605219
4-[3-(2-ethoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]-2-methylphenol
CID 136751304
2-bromo-5-[3-(1-methoxybutyl)-1,2,4-oxadiazol-5-yl]aniline
CID 107813831
2-chloro-5-[3-(1-methoxybutyl)-1,2,4-oxadiazol-5-yl]aniline
CID 116702452
4-[3-(2-ethoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]-2-methylphenol
CID 136751308
1-[5-(4-bromo-3-methylphenyl)-1,2,4-oxadiazol-3-yl]ethanol
CID 102660664

Frequently Asked Questions

What is the IUPAC name of 4-[3-(1-methoxypropyl)-1,2,4-oxadiazol-5-yl]-2-methylphenol?
The IUPAC name of 4-[3-(1-methoxypropyl)-1,2,4-oxadiazol-5-yl]-2-methylphenol (CID 136751285) is 4-[3-(1-methoxypropyl)-1,2,4-oxadiazol-5-yl]-2-methylphenol.
What is the SMILES notation for 4-[3-(1-methoxypropyl)-1,2,4-oxadiazol-5-yl]-2-methylphenol?
The canonical SMILES for 4-[3-(1-methoxypropyl)-1,2,4-oxadiazol-5-yl]-2-methylphenol is CCC(OC)c1noc(-c2ccc(O)c(C)c2)n1.
What is the InChIKey of 4-[3-(1-methoxypropyl)-1,2,4-oxadiazol-5-yl]-2-methylphenol?
The InChIKey is VZQDXKQLZRRYBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3/c1-4-11(17-3)12-14-13(18-15-12)9-5-6-10(16)8(2)7-9/h5-7,11,16H,4H2,1-3H3.
What are the key properties of 4-[3-(1-methoxypropyl)-1,2,4-oxadiazol-5-yl]-2-methylphenol?
4-[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 4-[3-(1-methoxypropyl)-1,2,4-oxadiazol-5-yl]-2-methylphenol is sourced from PubChem (CID 136751285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).