3-[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]-1-methyl-4-phenylmethoxypyridin-2-one

C21H16F2N4O3 — CID 154665059

IUPAC3-[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]-1-methyl-4-phenylmethoxypyridin-2-one
SMILESCn1ccc(OCc2ccccc2)c(-c2cc(-c3nnc(C(F)F)o3)ccn2)c1=O
InChIInChI=1S/C21H16F2N4O3/c1-27-10-8-16(29-12-13-5-3-2-4-6-13)17(21(27)28)15-11-14(7-9-24-15)19-25-26-20(30-19)18(22)23/h2-11,18H,12H2,1H3
InChIKeyWSPKTULFDSOWDV-UHFFFAOYSA-N
MW410.38 g/mol
LogP4.01
Rot. Bonds6

About 3-[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]-1-methyl-4-phenylmethoxypyridin-2-one

3-[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]-1-methyl-4-phenylmethoxypyridin-2-one (PubChem CID 154665059) has the molecular formula C21H16F2N4O3 and a molecular weight of 410.38 g/mol. Its IUPAC name is 3-[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]-1-methyl-4-phenylmethoxypyridin-2-one.

Molecular Properties

Compound Name3-[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]-1-methyl-4-phenylmethoxypyridin-2-one
PubChem CID154665059
Molecular FormulaC21H16F2N4O3
Molecular Weight410.38 g/mol
Exact Mass410.12
IUPAC Name3-[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]-1-methyl-4-phenylmethoxypyridin-2-one
SMILESCn1ccc(OCc2ccccc2)c(-c2cc(-c3nnc(C(F)F)o3)ccn2)c1=O
InChIInChI=1S/C21H16F2N4O3/c1-27-10-8-16(29-12-13-5-3-2-4-6-13)17(21(27)28)15-11-14(7-9-24-15)19-25-26-20(30-19)18(22)23/h2-11,18H,12H2,1H3
InChIKeyWSPKTULFDSOWDV-UHFFFAOYSA-N
XLogP4.01
TPSA83.04 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.38
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1-methylpyridin-2-one
CID 146309641
benzyl 2-[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-oxo-1-pyridinyl]acetate
CID 146309670
1,3-dimethyl-4-phenylmethoxypyridin-2-one;ethane
CID 156637776
2-(difluoromethyl)-5-[2-[2-[(3-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-4-pyridinyl]-1,3,4-oxadiazole
CID 154665099
3-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]-6-phenylpyrimidin-4-one
CID 178112122
[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]carbamic acid
CID 166061915
4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1-(3-pyridin-3-ylpropyl)pyridin-2-one
CID 156525722
4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1-(3-methoxypropyl)pyridin-2-one
CID 167346830
4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1-[[4-(trifluoromethoxy)-2-pyridinyl]methyl]pyridin-2-one
CID 156525799
1-methyl-3-phenylmethoxy-5-(4-phenylpyrimidin-2-yl)pyridin-2-one
CID 67419449
N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]-N-phenylmethanesulfonamide
CID 126507243
2-(difluoromethyl)-5-[6-[(2-methylpyrazol-3-yl)oxymethyl]-3-pyridinyl]-1,3,4-oxadiazole
CID 169290154

Frequently Asked Questions

What is the IUPAC name of 3-[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]-1-methyl-4-phenylmethoxypyridin-2-one?
The IUPAC name of 3-[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]-1-methyl-4-phenylmethoxypyridin-2-one (CID 154665059) is 3-[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]-1-methyl-4-phenylmethoxypyridin-2-one.
What is the SMILES notation for 3-[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]-1-methyl-4-phenylmethoxypyridin-2-one?
The canonical SMILES for 3-[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]-1-methyl-4-phenylmethoxypyridin-2-one is Cn1ccc(OCc2ccccc2)c(-c2cc(-c3nnc(C(F)F)o3)ccn2)c1=O.
What is the InChIKey of 3-[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]-1-methyl-4-phenylmethoxypyridin-2-one?
The InChIKey is WSPKTULFDSOWDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16F2N4O3/c1-27-10-8-16(29-12-13-5-3-2-4-6-13)17(21(27)28)15-11-14(7-9-24-15)19-25-26-20(30-19)18(22)23/h2-11,18H,12H2,1H3.
What are the key properties of 3-[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]-1-methyl-4-phenylmethoxypyridin-2-one?
3-[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]-1-methyl-4-phenylmethoxypyridin-2-one has a molecular weight of 410.38 g/mol, XLogP of 4.01, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]-1-methyl-4-phenylmethoxypyridin-2-one is sourced from PubChem (CID 154665059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).