5-(difluoromethyl)-3-(2-phenoxy-3-pyridinyl)-1,2,4-oxadiazole

C14H9F2N3O2 — CID 28999716

IUPAC5-(difluoromethyl)-3-(2-phenoxy-3-pyridinyl)-1,2,4-oxadiazole
SMILESFC(F)c1nc(-c2cccnc2Oc2ccccc2)no1
InChIInChI=1S/C14H9F2N3O2/c15-11(16)14-18-12(19-21-14)10-7-4-8-17-13(10)20-9-5-2-1-3-6-9/h1-8,11H
InChIKeyIHUTWWREEMVRSK-UHFFFAOYSA-N
MW289.24 g/mol
LogP3.86
Rot. Bonds4

About 5-(difluoromethyl)-3-(2-phenoxy-3-pyridinyl)-1,2,4-oxadiazole

5-(difluoromethyl)-3-(2-phenoxy-3-pyridinyl)-1,2,4-oxadiazole (PubChem CID 28999716) has the molecular formula C14H9F2N3O2 and a molecular weight of 289.24 g/mol. Its IUPAC name is 5-(difluoromethyl)-3-(2-phenoxy-3-pyridinyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(difluoromethyl)-3-(2-phenoxy-3-pyridinyl)-1,2,4-oxadiazole
PubChem CID28999716
Molecular FormulaC14H9F2N3O2
Molecular Weight289.24 g/mol
Exact Mass289.07
IUPAC Name5-(difluoromethyl)-3-(2-phenoxy-3-pyridinyl)-1,2,4-oxadiazole
SMILESFC(F)c1nc(-c2cccnc2Oc2ccccc2)no1
InChIInChI=1S/C14H9F2N3O2/c15-11(16)14-18-12(19-21-14)10-7-4-8-17-13(10)20-9-5-2-1-3-6-9/h1-8,11H
InChIKeyIHUTWWREEMVRSK-UHFFFAOYSA-N
XLogP3.86
TPSA61.04 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.24
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethyl)-3-(2-phenoxy-3-pyridinyl)-1,2,4-oxadiazole?
The IUPAC name of 5-(difluoromethyl)-3-(2-phenoxy-3-pyridinyl)-1,2,4-oxadiazole (CID 28999716) is 5-(difluoromethyl)-3-(2-phenoxy-3-pyridinyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-(difluoromethyl)-3-(2-phenoxy-3-pyridinyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-(difluoromethyl)-3-(2-phenoxy-3-pyridinyl)-1,2,4-oxadiazole is FC(F)c1nc(-c2cccnc2Oc2ccccc2)no1.
What is the InChIKey of 5-(difluoromethyl)-3-(2-phenoxy-3-pyridinyl)-1,2,4-oxadiazole?
The InChIKey is IHUTWWREEMVRSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F2N3O2/c15-11(16)14-18-12(19-21-14)10-7-4-8-17-13(10)20-9-5-2-1-3-6-9/h1-8,11H.
What are the key properties of 5-(difluoromethyl)-3-(2-phenoxy-3-pyridinyl)-1,2,4-oxadiazole?
5-(difluoromethyl)-3-(2-phenoxy-3-pyridinyl)-1,2,4-oxadiazole has a molecular weight of 289.24 g/mol, XLogP of 3.86, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(difluoromethyl)-3-(2-phenoxy-3-pyridinyl)-1,2,4-oxadiazole is sourced from PubChem (CID 28999716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).