5-(3-fluoro-2,3-dimethylbutan-2-yl)-3-phenyl-1,2,4-oxadiazole

C14H17FN2O — CID 11425170

IUPAC5-(3-fluoro-2,3-dimethylbutan-2-yl)-3-phenyl-1,2,4-oxadiazole
SMILESCC(C)(F)C(C)(C)c1nc(-c2ccccc2)no1
InChIInChI=1S/C14H17FN2O/c1-13(2,14(3,4)15)12-16-11(17-18-12)10-8-6-5-7-9-10/h5-9H,1-4H3
InChIKeyKUYMRDUIOICPSX-UHFFFAOYSA-N
MW248.30 g/mol
LogP3.76
Rot. Bonds3

About 5-(3-fluoro-2,3-dimethylbutan-2-yl)-3-phenyl-1,2,4-oxadiazole

5-(3-fluoro-2,3-dimethylbutan-2-yl)-3-phenyl-1,2,4-oxadiazole (PubChem CID 11425170) has the molecular formula C14H17FN2O and a molecular weight of 248.30 g/mol. Its IUPAC name is 5-(3-fluoro-2,3-dimethylbutan-2-yl)-3-phenyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(3-fluoro-2,3-dimethylbutan-2-yl)-3-phenyl-1,2,4-oxadiazole
PubChem CID11425170
Molecular FormulaC14H17FN2O
Molecular Weight248.30 g/mol
Exact Mass248.13
IUPAC Name5-(3-fluoro-2,3-dimethylbutan-2-yl)-3-phenyl-1,2,4-oxadiazole
SMILESCC(C)(F)C(C)(C)c1nc(-c2ccccc2)no1
InChIInChI=1S/C14H17FN2O/c1-13(2,14(3,4)15)12-16-11(17-18-12)10-8-6-5-7-9-10/h5-9H,1-4H3
InChIKeyKUYMRDUIOICPSX-UHFFFAOYSA-N
XLogP3.76
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.30
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(3-fluoro-2,3-dimethylbutan-2-yl)-3-phenyl-1,2,4-oxadiazole?
The IUPAC name of 5-(3-fluoro-2,3-dimethylbutan-2-yl)-3-phenyl-1,2,4-oxadiazole (CID 11425170) is 5-(3-fluoro-2,3-dimethylbutan-2-yl)-3-phenyl-1,2,4-oxadiazole.
What is the SMILES notation for 5-(3-fluoro-2,3-dimethylbutan-2-yl)-3-phenyl-1,2,4-oxadiazole?
The canonical SMILES for 5-(3-fluoro-2,3-dimethylbutan-2-yl)-3-phenyl-1,2,4-oxadiazole is CC(C)(F)C(C)(C)c1nc(-c2ccccc2)no1.
What is the InChIKey of 5-(3-fluoro-2,3-dimethylbutan-2-yl)-3-phenyl-1,2,4-oxadiazole?
The InChIKey is KUYMRDUIOICPSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2O/c1-13(2,14(3,4)15)12-16-11(17-18-12)10-8-6-5-7-9-10/h5-9H,1-4H3.
What are the key properties of 5-(3-fluoro-2,3-dimethylbutan-2-yl)-3-phenyl-1,2,4-oxadiazole?
5-(3-fluoro-2,3-dimethylbutan-2-yl)-3-phenyl-1,2,4-oxadiazole has a molecular weight of 248.30 g/mol, XLogP of 3.76, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-fluoro-2,3-dimethylbutan-2-yl)-3-phenyl-1,2,4-oxadiazole is sourced from PubChem (CID 11425170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).