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

C13H16N2O3 — CID 137017694

IUPAC2-[3-(2-methoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]phenol
SMILESCCC(C)(OC)c1noc(-c2ccccc2O)n1
InChIInChI=1S/C13H16N2O3/c1-4-13(2,17-3)12-14-11(18-15-12)9-7-5-6-8-10(9)16/h5-8,16H,4H2,1-3H3
InChIKeyHSALLVOHQSBSLC-UHFFFAOYSA-N
MW248.28 g/mol
LogP2.71
Rot. Bonds4

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

2-[3-(2-methoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]phenol (PubChem CID 137017694) has the molecular formula C13H16N2O3 and a molecular weight of 248.28 g/mol. Its IUPAC name is 2-[3-(2-methoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]phenol.

Molecular Properties

Compound Name2-[3-(2-methoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]phenol
PubChem CID137017694
Molecular FormulaC13H16N2O3
Molecular Weight248.28 g/mol
Exact Mass248.12
IUPAC Name2-[3-(2-methoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]phenol
SMILESCCC(C)(OC)c1noc(-c2ccccc2O)n1
InChIInChI=1S/C13H16N2O3/c1-4-13(2,17-3)12-14-11(18-15-12)9-7-5-6-8-10(9)16/h5-8,16H,4H2,1-3H3
InChIKeyHSALLVOHQSBSLC-UHFFFAOYSA-N
XLogP2.71
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 ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-(2-ethoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]benzoic acid
CID 116743995
2-[3-(2-ethoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]-4-iodophenol
CID 136886118
3-[3-(2-methoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]-4,5-dimethylaniline
CID 116740359
4-[3-(2-methoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]benzonitrile
CID 106527236
5-fluoro-2-[3-(2-methoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]phenol
CID 136809814
2-[3-(2-methoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]thiophen-3-amine
CID 116740355
5-chloro-2-[3-(3-methoxypentan-3-yl)-1,2,4-oxadiazol-5-yl]phenol
CID 137017728
3-[3-(2-ethoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]benzene-1,2-diol
CID 136928508
4-[3-(2-methoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]-2-methylaniline
CID 116740285
N-[2-[3-(2-methoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]ethyl]aniline
CID 116740290
4-[3-(2-ethoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]benzene-1,2-diol
CID 136904536
2-[3-(2-methoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]benzene-1,3-diol
CID 136927502

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-methoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]phenol?
The IUPAC name of 2-[3-(2-methoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]phenol (CID 137017694) is 2-[3-(2-methoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]phenol.
What is the SMILES notation for 2-[3-(2-methoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]phenol?
The canonical SMILES for 2-[3-(2-methoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]phenol is CCC(C)(OC)c1noc(-c2ccccc2O)n1.
What is the InChIKey of 2-[3-(2-methoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]phenol?
The InChIKey is HSALLVOHQSBSLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3/c1-4-13(2,17-3)12-14-11(18-15-12)9-7-5-6-8-10(9)16/h5-8,16H,4H2,1-3H3.
What are the key properties of 2-[3-(2-methoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]phenol?
2-[3-(2-methoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]phenol has a molecular weight of 248.28 g/mol, XLogP of 2.71, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-methoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]phenol is sourced from PubChem (CID 137017694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).