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

C13H16N2O3 — CID 136965239

IUPAC2-[3-(1-methoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]phenol
SMILESCOC(c1noc(-c2ccccc2O)n1)C(C)C
InChIInChI=1S/C13H16N2O3/c1-8(2)11(17-3)12-14-13(18-15-12)9-6-4-5-7-10(9)16/h4-8,11,16H,1-3H3
InChIKeyUWONLXUUIQXUPH-UHFFFAOYSA-N
MW248.28 g/mol
LogP2.79
Rot. Bonds4

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

2-[3-(1-methoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]phenol (PubChem CID 136965239) has the molecular formula C13H16N2O3 and a molecular weight of 248.28 g/mol. Its IUPAC name is 2-[3-(1-methoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]phenol.

Molecular Properties

Compound Name2-[3-(1-methoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]phenol
PubChem CID136965239
Molecular FormulaC13H16N2O3
Molecular Weight248.28 g/mol
Exact Mass248.12
IUPAC Name2-[3-(1-methoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]phenol
SMILESCOC(c1noc(-c2ccccc2O)n1)C(C)C
InChIInChI=1S/C13H16N2O3/c1-8(2)11(17-3)12-14-13(18-15-12)9-6-4-5-7-10(9)16/h4-8,11,16H,1-3H3
InChIKeyUWONLXUUIQXUPH-UHFFFAOYSA-N
XLogP2.79
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 ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-iodo-2-[3-(1-methoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]phenol
CID 136886110
2-[3-(1-methoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]-N-methylaniline
CID 116702939
2-[3-(1-aminoethyl)-1,2,4-oxadiazol-5-yl]phenol
CID 137002843
2-chloro-6-[3-(1-methoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]aniline
CID 107051211
2-[3-(1-methylsulfonylethyl)-1,2,4-oxadiazol-5-yl]phenol
CID 136955102
2-[3-(2-methoxypropyl)-1,2,4-oxadiazol-5-yl]phenol
CID 136964522
2-[3-(1-ethoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]-5-fluorophenol
CID 136790025
1-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]ethanol
CID 102660763
4,5-difluoro-2-[3-(1-methoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]aniline
CID 116702940
2-[3-(1-ethoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]-4-fluorophenol
CID 136965242
5-chloro-2-[3-(1-methoxy-2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]phenol
CID 136965291
[3-[3-(1-methoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]phenyl]methanamine
CID 116702892

Frequently Asked Questions

What is the IUPAC name of 2-[3-(1-methoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]phenol?
The IUPAC name of 2-[3-(1-methoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]phenol (CID 136965239) is 2-[3-(1-methoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]phenol.
What is the SMILES notation for 2-[3-(1-methoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]phenol?
The canonical SMILES for 2-[3-(1-methoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]phenol is COC(c1noc(-c2ccccc2O)n1)C(C)C.
What is the InChIKey of 2-[3-(1-methoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]phenol?
The InChIKey is UWONLXUUIQXUPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3/c1-8(2)11(17-3)12-14-13(18-15-12)9-6-4-5-7-10(9)16/h4-8,11,16H,1-3H3.
What are the key properties of 2-[3-(1-methoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]phenol?
2-[3-(1-methoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]phenol has a molecular weight of 248.28 g/mol, XLogP of 2.79, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(1-methoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]phenol is sourced from PubChem (CID 136965239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).