[5-(2-methyl-1-phenylbutyl)-1,2,4-oxadiazol-3-yl]methanol

C14H18N2O2 — CID 102660428

IUPAC[5-(2-methyl-1-phenylbutyl)-1,2,4-oxadiazol-3-yl]methanol
SMILESCCC(C)C(c1ccccc1)c1nc(CO)no1
InChIInChI=1S/C14H18N2O2/c1-3-10(2)13(11-7-5-4-6-8-11)14-15-12(9-17)16-18-14/h4-8,10,13,17H,3,9H2,1-2H3
InChIKeyJKGIHMATTMRNOZ-UHFFFAOYSA-N
MW246.31 g/mol
LogP2.74
Rot. Bonds5

About [5-(2-methyl-1-phenylbutyl)-1,2,4-oxadiazol-3-yl]methanol

[5-(2-methyl-1-phenylbutyl)-1,2,4-oxadiazol-3-yl]methanol (PubChem CID 102660428) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is [5-(2-methyl-1-phenylbutyl)-1,2,4-oxadiazol-3-yl]methanol.

Molecular Properties

Compound Name[5-(2-methyl-1-phenylbutyl)-1,2,4-oxadiazol-3-yl]methanol
PubChem CID102660428
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Name[5-(2-methyl-1-phenylbutyl)-1,2,4-oxadiazol-3-yl]methanol
SMILESCCC(C)C(c1ccccc1)c1nc(CO)no1
InChIInChI=1S/C14H18N2O2/c1-3-10(2)13(11-7-5-4-6-8-11)14-15-12(9-17)16-18-14/h4-8,10,13,17H,3,9H2,1-2H3
InChIKeyJKGIHMATTMRNOZ-UHFFFAOYSA-N
XLogP2.74
TPSA59.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [5-(2-methyl-1-phenylbutyl)-1,2,4-oxadiazol-3-yl]methanol with MolForge

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Related Compounds

phenyl-(3-propyl-1,2,4-oxadiazol-5-yl)methanol
CID 63850614
(3-ethyl-1,2,4-oxadiazol-5-yl)-phenylmethanamine;hydrochloride
CID 146064560
2-[3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl]-2-phenylethanamine
CID 79076954
ethyl 5-(2-methyl-1-phenylbutyl)-1,3,4-oxadiazole-2-carboxylate
CID 115960780
[(2R,3S)-3-methylpentan-2-yl]benzene
CID 142488362
3-[5-(2-methyl-1-phenylbutyl)-1,3,4-oxadiazol-2-yl]propanoic acid
CID 60907292
2-[[5-(2-methyl-1-phenylbutyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetic acid
CID 43148602
(R)-[3-(2-methoxypropyl)-1,2,4-oxadiazol-5-yl]-phenylmethanamine
CID 104898781
[5-(1-methylsulfonylethyl)-1,2,4-oxadiazol-3-yl]methanol
CID 102660464
2-[5-[(1S)-1-amino-2-methylbutyl]-1,2,4-oxadiazol-3-yl]ethanol
CID 104900337
2-[3-(3-methylbutyl)-1,2,4-oxadiazol-5-yl]-2-phenylethanamine
CID 62884711
3-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine
CID 63352262

Frequently Asked Questions

What is the IUPAC name of [5-(2-methyl-1-phenylbutyl)-1,2,4-oxadiazol-3-yl]methanol?
The IUPAC name of [5-(2-methyl-1-phenylbutyl)-1,2,4-oxadiazol-3-yl]methanol (CID 102660428) is [5-(2-methyl-1-phenylbutyl)-1,2,4-oxadiazol-3-yl]methanol.
What is the SMILES notation for [5-(2-methyl-1-phenylbutyl)-1,2,4-oxadiazol-3-yl]methanol?
The canonical SMILES for [5-(2-methyl-1-phenylbutyl)-1,2,4-oxadiazol-3-yl]methanol is CCC(C)C(c1ccccc1)c1nc(CO)no1.
What is the InChIKey of [5-(2-methyl-1-phenylbutyl)-1,2,4-oxadiazol-3-yl]methanol?
The InChIKey is JKGIHMATTMRNOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-3-10(2)13(11-7-5-4-6-8-11)14-15-12(9-17)16-18-14/h4-8,10,13,17H,3,9H2,1-2H3.
What are the key properties of [5-(2-methyl-1-phenylbutyl)-1,2,4-oxadiazol-3-yl]methanol?
[5-(2-methyl-1-phenylbutyl)-1,2,4-oxadiazol-3-yl]methanol has a molecular weight of 246.31 g/mol, XLogP of 2.74, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2-methyl-1-phenylbutyl)-1,2,4-oxadiazol-3-yl]methanol is sourced from PubChem (CID 102660428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).