1-(5-benzyl-1,2,4-oxadiazol-3-yl)propan-2-ol

C12H14N2O2 — CID 115078804

IUPAC1-(5-benzyl-1,2,4-oxadiazol-3-yl)propan-2-ol
SMILESCC(O)Cc1noc(Cc2ccccc2)n1
InChIInChI=1S/C12H14N2O2/c1-9(15)7-11-13-12(16-14-11)8-10-5-3-2-4-6-10/h2-6,9,15H,7-8H2,1H3
InChIKeyQODULFLXEJRKTA-UHFFFAOYSA-N
MW218.26 g/mol
LogP1.58
Rot. Bonds4

About 1-(5-benzyl-1,2,4-oxadiazol-3-yl)propan-2-ol

1-(5-benzyl-1,2,4-oxadiazol-3-yl)propan-2-ol (PubChem CID 115078804) has the molecular formula C12H14N2O2 and a molecular weight of 218.26 g/mol. Its IUPAC name is 1-(5-benzyl-1,2,4-oxadiazol-3-yl)propan-2-ol.

Molecular Properties

Compound Name1-(5-benzyl-1,2,4-oxadiazol-3-yl)propan-2-ol
PubChem CID115078804
Molecular FormulaC12H14N2O2
Molecular Weight218.26 g/mol
Exact Mass218.11
IUPAC Name1-(5-benzyl-1,2,4-oxadiazol-3-yl)propan-2-ol
SMILESCC(O)Cc1noc(Cc2ccccc2)n1
InChIInChI=1S/C12H14N2O2/c1-9(15)7-11-13-12(16-14-11)8-10-5-3-2-4-6-10/h2-6,9,15H,7-8H2,1H3
InChIKeyQODULFLXEJRKTA-UHFFFAOYSA-N
XLogP1.58
TPSA59.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[3-(2-hydroxypropyl)-1,2,4-oxadiazol-5-yl]methyl]phenol
CID 115079062
1-(5-benzyl-1,2,4-oxadiazol-3-yl)-N-methylpropan-2-amine;hydrochloride
CID 120866958
5-benzyl-3-(methylsulfanylmethyl)-1,2,4-oxadiazole
CID 56648390
(2R)-1-[N-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]anilino]propan-2-ol
CID 94817190
1-[3-[(2-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]propan-2-ol
CID 63349292
1-[1-[(5-benzyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]ethanol
CID 111114040
N-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-3-methylbutan-2-amine
CID 43663072
1-(5-benzyl-1,2,4-oxadiazol-3-yl)ethanamine
CID 61326226
2-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]phenol
CID 80740542
2-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-2,3-dimethylbutanoic acid
CID 43471044
1-[5-(2,2-dimethylpropyl)-1,2,4-oxadiazol-3-yl]propan-2-ol
CID 115079148
2-[(3-benzyl-1,2,4-oxadiazol-5-yl)methylamino]-N-methylpropanamide
CID 61464371

Frequently Asked Questions

What is the IUPAC name of 1-(5-benzyl-1,2,4-oxadiazol-3-yl)propan-2-ol?
The IUPAC name of 1-(5-benzyl-1,2,4-oxadiazol-3-yl)propan-2-ol (CID 115078804) is 1-(5-benzyl-1,2,4-oxadiazol-3-yl)propan-2-ol.
What is the SMILES notation for 1-(5-benzyl-1,2,4-oxadiazol-3-yl)propan-2-ol?
The canonical SMILES for 1-(5-benzyl-1,2,4-oxadiazol-3-yl)propan-2-ol is CC(O)Cc1noc(Cc2ccccc2)n1.
What is the InChIKey of 1-(5-benzyl-1,2,4-oxadiazol-3-yl)propan-2-ol?
The InChIKey is QODULFLXEJRKTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2/c1-9(15)7-11-13-12(16-14-11)8-10-5-3-2-4-6-10/h2-6,9,15H,7-8H2,1H3.
What are the key properties of 1-(5-benzyl-1,2,4-oxadiazol-3-yl)propan-2-ol?
1-(5-benzyl-1,2,4-oxadiazol-3-yl)propan-2-ol has a molecular weight of 218.26 g/mol, XLogP of 1.58, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-benzyl-1,2,4-oxadiazol-3-yl)propan-2-ol is sourced from PubChem (CID 115078804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).