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

C14H18N2O2 — CID 55260810

IUPAC[3-(3-phenylpentan-3-yl)-1,2,4-oxadiazol-5-yl]methanol
SMILESCCC(CC)(c1ccccc1)c1noc(CO)n1
InChIInChI=1S/C14H18N2O2/c1-3-14(4-2,11-8-6-5-7-9-11)13-15-12(10-17)18-16-13/h5-9,17H,3-4,10H2,1-2H3
InChIKeyIKPVPPIODXGKNT-UHFFFAOYSA-N
MW246.31 g/mol
LogP2.67
Rot. Bonds5

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

[3-(3-phenylpentan-3-yl)-1,2,4-oxadiazol-5-yl]methanol (PubChem CID 55260810) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is [3-(3-phenylpentan-3-yl)-1,2,4-oxadiazol-5-yl]methanol.

Molecular Properties

Compound Name[3-(3-phenylpentan-3-yl)-1,2,4-oxadiazol-5-yl]methanol
PubChem CID55260810
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Name[3-(3-phenylpentan-3-yl)-1,2,4-oxadiazol-5-yl]methanol
SMILESCCC(CC)(c1ccccc1)c1noc(CO)n1
InChIInChI=1S/C14H18N2O2/c1-3-14(4-2,11-8-6-5-7-9-11)13-15-12(10-17)18-16-13/h5-9,17H,3-4,10H2,1-2H3
InChIKeyIKPVPPIODXGKNT-UHFFFAOYSA-N
XLogP2.67
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 ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-(3-phenylpentan-3-yl)-1,2,4-oxadiazol-5-yl]methanol?
The IUPAC name of [3-(3-phenylpentan-3-yl)-1,2,4-oxadiazol-5-yl]methanol (CID 55260810) is [3-(3-phenylpentan-3-yl)-1,2,4-oxadiazol-5-yl]methanol.
What is the SMILES notation for [3-(3-phenylpentan-3-yl)-1,2,4-oxadiazol-5-yl]methanol?
The canonical SMILES for [3-(3-phenylpentan-3-yl)-1,2,4-oxadiazol-5-yl]methanol is CCC(CC)(c1ccccc1)c1noc(CO)n1.
What is the InChIKey of [3-(3-phenylpentan-3-yl)-1,2,4-oxadiazol-5-yl]methanol?
The InChIKey is IKPVPPIODXGKNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-3-14(4-2,11-8-6-5-7-9-11)13-15-12(10-17)18-16-13/h5-9,17H,3-4,10H2,1-2H3.
What are the key properties of [3-(3-phenylpentan-3-yl)-1,2,4-oxadiazol-5-yl]methanol?
[3-(3-phenylpentan-3-yl)-1,2,4-oxadiazol-5-yl]methanol has a molecular weight of 246.31 g/mol, XLogP of 2.67, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3-phenylpentan-3-yl)-1,2,4-oxadiazol-5-yl]methanol is sourced from PubChem (CID 55260810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).