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

C13H16N2O2 — CID 80740542

IUPAC2-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]phenol
SMILESCC(C)Cc1noc(Cc2ccccc2O)n1
InChIInChI=1S/C13H16N2O2/c1-9(2)7-12-14-13(17-15-12)8-10-5-3-4-6-11(10)16/h3-6,9,16H,7-8H2,1-2H3
InChIKeySSCWJUQLYWHUTR-UHFFFAOYSA-N
MW232.28 g/mol
LogP2.56
Rot. Bonds4

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

2-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]phenol (PubChem CID 80740542) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is 2-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]phenol.

Molecular Properties

Compound Name2-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]phenol
PubChem CID80740542
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC Name2-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]phenol
SMILESCC(C)Cc1noc(Cc2ccccc2O)n1
InChIInChI=1S/C13H16N2O2/c1-9(2)7-12-14-13(17-15-12)8-10-5-3-4-6-11(10)16/h3-6,9,16H,7-8H2,1-2H3
InChIKeySSCWJUQLYWHUTR-UHFFFAOYSA-N
XLogP2.56
TPSA59.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]phenyl]methanamine
CID 81318498
2-[(3-butan-2-yl-1,2,4-oxadiazol-5-yl)methyl]phenol
CID 80740766
2-[5-[(2-hydroxyphenyl)methyl]-1,2,4-oxadiazol-3-yl]acetaldehyde
CID 115078953
2-[[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]methyl]phenol
CID 116799871
1-[5-[(2-bromophenyl)methyl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine
CID 115078997
2-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]phenol
CID 80740910
2-[[3-(pyridin-3-ylmethyl)-1,2,4-oxadiazol-5-yl]methyl]phenol
CID 80740840
1-(5-benzyl-1,2,4-oxadiazol-3-yl)propan-2-ol
CID 115078804
2-[[3-(2-methoxypropyl)-1,2,4-oxadiazol-5-yl]methyl]aniline
CID 113391089
2-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]benzoic acid
CID 16781340
5-(benzylsulfanylmethyl)-3-(2-methylpropyl)-1,2,4-oxadiazole
CID 78838232
1-[3-[(2-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]propan-2-ol
CID 63349292

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]phenol?
The IUPAC name of 2-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]phenol (CID 80740542) is 2-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]phenol.
What is the SMILES notation for 2-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]phenol?
The canonical SMILES for 2-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]phenol is CC(C)Cc1noc(Cc2ccccc2O)n1.
What is the InChIKey of 2-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]phenol?
The InChIKey is SSCWJUQLYWHUTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2/c1-9(2)7-12-14-13(17-15-12)8-10-5-3-4-6-11(10)16/h3-6,9,16H,7-8H2,1-2H3.
What are the key properties of 2-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]phenol?
2-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]phenol has a molecular weight of 232.28 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]phenol is sourced from PubChem (CID 80740542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).