5-phenyl-4-propan-2-yl-5H-1,2,4-oxadiazole

C11H14N2O — CID 134402567

IUPAC5-phenyl-4-propan-2-yl-5H-1,2,4-oxadiazole
SMILESCC(C)N1C=NOC1c1ccccc1
InChIInChI=1S/C11H14N2O/c1-9(2)13-8-12-14-11(13)10-6-4-3-5-7-10/h3-9,11H,1-2H3
InChIKeyUQOHEXXLMDUEII-UHFFFAOYSA-N
MW190.25 g/mol
LogP2.37
Rot. Bonds2

About 5-phenyl-4-propan-2-yl-5H-1,2,4-oxadiazole

5-phenyl-4-propan-2-yl-5H-1,2,4-oxadiazole (PubChem CID 134402567) has the molecular formula C11H14N2O and a molecular weight of 190.25 g/mol. Its IUPAC name is 5-phenyl-4-propan-2-yl-5H-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-phenyl-4-propan-2-yl-5H-1,2,4-oxadiazole
PubChem CID134402567
Molecular FormulaC11H14N2O
Molecular Weight190.25 g/mol
Exact Mass190.11
IUPAC Name5-phenyl-4-propan-2-yl-5H-1,2,4-oxadiazole
SMILESCC(C)N1C=NOC1c1ccccc1
InChIInChI=1S/C11H14N2O/c1-9(2)13-8-12-14-11(13)10-6-4-3-5-7-10/h3-9,11H,1-2H3
InChIKeyUQOHEXXLMDUEII-UHFFFAOYSA-N
XLogP2.37
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.25
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-phenyl-4-propan-2-yl-5H-1,2,4-oxadiazole?
The IUPAC name of 5-phenyl-4-propan-2-yl-5H-1,2,4-oxadiazole (CID 134402567) is 5-phenyl-4-propan-2-yl-5H-1,2,4-oxadiazole.
What is the SMILES notation for 5-phenyl-4-propan-2-yl-5H-1,2,4-oxadiazole?
The canonical SMILES for 5-phenyl-4-propan-2-yl-5H-1,2,4-oxadiazole is CC(C)N1C=NOC1c1ccccc1.
What is the InChIKey of 5-phenyl-4-propan-2-yl-5H-1,2,4-oxadiazole?
The InChIKey is UQOHEXXLMDUEII-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O/c1-9(2)13-8-12-14-11(13)10-6-4-3-5-7-10/h3-9,11H,1-2H3.
What are the key properties of 5-phenyl-4-propan-2-yl-5H-1,2,4-oxadiazole?
5-phenyl-4-propan-2-yl-5H-1,2,4-oxadiazole has a molecular weight of 190.25 g/mol, XLogP of 2.37, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-4-propan-2-yl-5H-1,2,4-oxadiazole is sourced from PubChem (CID 134402567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).