4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1-(2-phenoxyethyl)pyridin-2-one

C16H13F2N3O3 — CID 167346847

IUPAC4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1-(2-phenoxyethyl)pyridin-2-one
SMILESO=c1cc(-c2nnc(C(F)F)o2)ccn1CCOc1ccccc1
InChIInChI=1S/C16H13F2N3O3/c17-14(18)16-20-19-15(24-16)11-6-7-21(13(22)10-11)8-9-23-12-4-2-1-3-5-12/h1-7,10,14H,8-9H2
InChIKeyPBWQPARMZDBSOH-UHFFFAOYSA-N
MW333.29 g/mol
LogP2.91
Rot. Bonds6

About 4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1-(2-phenoxyethyl)pyridin-2-one

4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1-(2-phenoxyethyl)pyridin-2-one (PubChem CID 167346847) has the molecular formula C16H13F2N3O3 and a molecular weight of 333.29 g/mol. Its IUPAC name is 4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1-(2-phenoxyethyl)pyridin-2-one.

Molecular Properties

Compound Name4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1-(2-phenoxyethyl)pyridin-2-one
PubChem CID167346847
Molecular FormulaC16H13F2N3O3
Molecular Weight333.29 g/mol
Exact Mass333.09
IUPAC Name4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1-(2-phenoxyethyl)pyridin-2-one
SMILESO=c1cc(-c2nnc(C(F)F)o2)ccn1CCOc1ccccc1
InChIInChI=1S/C16H13F2N3O3/c17-14(18)16-20-19-15(24-16)11-6-7-21(13(22)10-11)8-9-23-12-4-2-1-3-5-12/h1-7,10,14H,8-9H2
InChIKeyPBWQPARMZDBSOH-UHFFFAOYSA-N
XLogP2.91
TPSA70.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.29
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1-(2-phenoxyethyl)pyridin-2-one?
The IUPAC name of 4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1-(2-phenoxyethyl)pyridin-2-one (CID 167346847) is 4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1-(2-phenoxyethyl)pyridin-2-one.
What is the SMILES notation for 4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1-(2-phenoxyethyl)pyridin-2-one?
The canonical SMILES for 4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1-(2-phenoxyethyl)pyridin-2-one is O=c1cc(-c2nnc(C(F)F)o2)ccn1CCOc1ccccc1.
What is the InChIKey of 4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1-(2-phenoxyethyl)pyridin-2-one?
The InChIKey is PBWQPARMZDBSOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F2N3O3/c17-14(18)16-20-19-15(24-16)11-6-7-21(13(22)10-11)8-9-23-12-4-2-1-3-5-12/h1-7,10,14H,8-9H2.
What are the key properties of 4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1-(2-phenoxyethyl)pyridin-2-one?
4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1-(2-phenoxyethyl)pyridin-2-one has a molecular weight of 333.29 g/mol, XLogP of 2.91, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1-(2-phenoxyethyl)pyridin-2-one is sourced from PubChem (CID 167346847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).