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

C13H16N2O2 — CID 80740766

IUPAC2-[(3-butan-2-yl-1,2,4-oxadiazol-5-yl)methyl]phenol
SMILESCCC(C)c1noc(Cc2ccccc2O)n1
InChIInChI=1S/C13H16N2O2/c1-3-9(2)13-14-12(17-15-13)8-10-6-4-5-7-11(10)16/h4-7,9,16H,3,8H2,1-2H3
InChIKeyJHLXIOSXSRDXQV-UHFFFAOYSA-N
MW232.28 g/mol
LogP2.88
Rot. Bonds4

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

2-[(3-butan-2-yl-1,2,4-oxadiazol-5-yl)methyl]phenol (PubChem CID 80740766) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is 2-[(3-butan-2-yl-1,2,4-oxadiazol-5-yl)methyl]phenol.

Molecular Properties

Compound Name2-[(3-butan-2-yl-1,2,4-oxadiazol-5-yl)methyl]phenol
PubChem CID80740766
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC Name2-[(3-butan-2-yl-1,2,4-oxadiazol-5-yl)methyl]phenol
SMILESCCC(C)c1noc(Cc2ccccc2O)n1
InChIInChI=1S/C13H16N2O2/c1-3-9(2)13-14-12(17-15-13)8-10-6-4-5-7-11(10)16/h4-7,9,16H,3,8H2,1-2H3
InChIKeyJHLXIOSXSRDXQV-UHFFFAOYSA-N
XLogP2.88
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 ≤ 52.88
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]phenol
CID 80740542
2-[[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]methyl]phenol
CID 116799871
2-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]phenol
CID 80740910
1-[5-[(2-bromophenyl)methyl]-1,2,4-oxadiazol-3-yl]ethanamine
CID 115004592
N-[2-(3-butan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]aniline
CID 63719422
3-(3-butan-2-yl-1,2,4-oxadiazol-5-yl)-2-methyl-2-phenylpropanoic acid
CID 63717960
2-[[4-(1-hydroxyethyl)-1,3-oxazol-2-yl]methyl]phenol
CID 115083874
3-(1-chloropropyl)-5-[(2-methoxyphenyl)methyl]-1,2,4-oxadiazole
CID 103095530
N-[2-(3-butan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-2-methylaniline
CID 63719237
1-(3-butan-2-yl-1,2,4-oxadiazol-5-yl)-N-methylbutan-2-amine
CID 63716700
1-[5-[(2-methoxyphenyl)methyl]-1,2,4-oxadiazol-3-yl]ethanamine
CID 61324180
2-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]phenol
CID 80740466

Frequently Asked Questions

What is the IUPAC name of 2-[(3-butan-2-yl-1,2,4-oxadiazol-5-yl)methyl]phenol?
The IUPAC name of 2-[(3-butan-2-yl-1,2,4-oxadiazol-5-yl)methyl]phenol (CID 80740766) is 2-[(3-butan-2-yl-1,2,4-oxadiazol-5-yl)methyl]phenol.
What is the SMILES notation for 2-[(3-butan-2-yl-1,2,4-oxadiazol-5-yl)methyl]phenol?
The canonical SMILES for 2-[(3-butan-2-yl-1,2,4-oxadiazol-5-yl)methyl]phenol is CCC(C)c1noc(Cc2ccccc2O)n1.
What is the InChIKey of 2-[(3-butan-2-yl-1,2,4-oxadiazol-5-yl)methyl]phenol?
The InChIKey is JHLXIOSXSRDXQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2/c1-3-9(2)13-14-12(17-15-13)8-10-6-4-5-7-11(10)16/h4-7,9,16H,3,8H2,1-2H3.
What are the key properties of 2-[(3-butan-2-yl-1,2,4-oxadiazol-5-yl)methyl]phenol?
2-[(3-butan-2-yl-1,2,4-oxadiazol-5-yl)methyl]phenol has a molecular weight of 232.28 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-butan-2-yl-1,2,4-oxadiazol-5-yl)methyl]phenol is sourced from PubChem (CID 80740766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).