3-phenyl-5-propan-2-yl-2,5-dihydro-1,2,4-oxadiazole

C11H14N2O — CID 10845363

IUPAC3-phenyl-5-propan-2-yl-2,5-dihydro-1,2,4-oxadiazole
SMILESCC(C)C1N=C(c2ccccc2)NO1
InChIInChI=1S/C11H14N2O/c1-8(2)11-12-10(13-14-11)9-6-4-3-5-7-9/h3-8,11H,1-2H3,(H,12,13)
InChIKeyYBLGOMFKRPTZBX-UHFFFAOYSA-N
MW190.25 g/mol
LogP1.95
Rot. Bonds2

About 3-phenyl-5-propan-2-yl-2,5-dihydro-1,2,4-oxadiazole

3-phenyl-5-propan-2-yl-2,5-dihydro-1,2,4-oxadiazole (PubChem CID 10845363) has the molecular formula C11H14N2O and a molecular weight of 190.25 g/mol. Its IUPAC name is 3-phenyl-5-propan-2-yl-2,5-dihydro-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-phenyl-5-propan-2-yl-2,5-dihydro-1,2,4-oxadiazole
PubChem CID10845363
Molecular FormulaC11H14N2O
Molecular Weight190.25 g/mol
Exact Mass190.11
IUPAC Name3-phenyl-5-propan-2-yl-2,5-dihydro-1,2,4-oxadiazole
SMILESCC(C)C1N=C(c2ccccc2)NO1
InChIInChI=1S/C11H14N2O/c1-8(2)11-12-10(13-14-11)9-6-4-3-5-7-9/h3-8,11H,1-2H3,(H,12,13)
InChIKeyYBLGOMFKRPTZBX-UHFFFAOYSA-N
XLogP1.95
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.25
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-phenyl-5-propan-2-yl-2,5-dihydro-1,2,4-oxadiazole?
The IUPAC name of 3-phenyl-5-propan-2-yl-2,5-dihydro-1,2,4-oxadiazole (CID 10845363) is 3-phenyl-5-propan-2-yl-2,5-dihydro-1,2,4-oxadiazole.
What is the SMILES notation for 3-phenyl-5-propan-2-yl-2,5-dihydro-1,2,4-oxadiazole?
The canonical SMILES for 3-phenyl-5-propan-2-yl-2,5-dihydro-1,2,4-oxadiazole is CC(C)C1N=C(c2ccccc2)NO1.
What is the InChIKey of 3-phenyl-5-propan-2-yl-2,5-dihydro-1,2,4-oxadiazole?
The InChIKey is YBLGOMFKRPTZBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O/c1-8(2)11-12-10(13-14-11)9-6-4-3-5-7-9/h3-8,11H,1-2H3,(H,12,13).
What are the key properties of 3-phenyl-5-propan-2-yl-2,5-dihydro-1,2,4-oxadiazole?
3-phenyl-5-propan-2-yl-2,5-dihydro-1,2,4-oxadiazole has a molecular weight of 190.25 g/mol, XLogP of 1.95, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-5-propan-2-yl-2,5-dihydro-1,2,4-oxadiazole is sourced from PubChem (CID 10845363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).