3-[3-[(3R)-3-(4-fluorophenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]-1,4,6-trimethylpyridin-2-one

C20H20FN3O3 — CID 95204467

IUPAC3-[3-[(3R)-3-(4-fluorophenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]-1,4,6-trimethylpyridin-2-one
SMILESCc1cc(C)n(C)c(=O)c1-c1nc([C@]2(c3ccc(F)cc3)CCOC2)no1
InChIInChI=1S/C20H20FN3O3/c1-12-10-13(2)24(3)18(25)16(12)17-22-19(23-27-17)20(8-9-26-11-20)14-4-6-15(21)7-5-14/h4-7,10H,8-9,11H2,1-3H3/t20-/m1/s1
InChIKeyBPEQYSAFHMOOQQ-HXUWFJFHSA-N
MW369.40 g/mol
LogP2.90
Rot. Bonds3

About 3-[3-[(3R)-3-(4-fluorophenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]-1,4,6-trimethylpyridin-2-one

3-[3-[(3R)-3-(4-fluorophenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]-1,4,6-trimethylpyridin-2-one (PubChem CID 95204467) has the molecular formula C20H20FN3O3 and a molecular weight of 369.40 g/mol. Its IUPAC name is 3-[3-[(3R)-3-(4-fluorophenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]-1,4,6-trimethylpyridin-2-one.

Molecular Properties

Compound Name3-[3-[(3R)-3-(4-fluorophenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]-1,4,6-trimethylpyridin-2-one
PubChem CID95204467
Molecular FormulaC20H20FN3O3
Molecular Weight369.40 g/mol
Exact Mass369.15
IUPAC Name3-[3-[(3R)-3-(4-fluorophenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]-1,4,6-trimethylpyridin-2-one
SMILESCc1cc(C)n(C)c(=O)c1-c1nc([C@]2(c3ccc(F)cc3)CCOC2)no1
InChIInChI=1S/C20H20FN3O3/c1-12-10-13(2)24(3)18(25)16(12)17-22-19(23-27-17)20(8-9-26-11-20)14-4-6-15(21)7-5-14/h4-7,10H,8-9,11H2,1-3H3/t20-/m1/s1
InChIKeyBPEQYSAFHMOOQQ-HXUWFJFHSA-N
XLogP2.90
TPSA70.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.40
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[3-[(3R)-3-(4-fluorophenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]-1,4,6-trimethylpyridin-2-one?
The IUPAC name of 3-[3-[(3R)-3-(4-fluorophenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]-1,4,6-trimethylpyridin-2-one (CID 95204467) is 3-[3-[(3R)-3-(4-fluorophenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]-1,4,6-trimethylpyridin-2-one.
What is the SMILES notation for 3-[3-[(3R)-3-(4-fluorophenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]-1,4,6-trimethylpyridin-2-one?
The canonical SMILES for 3-[3-[(3R)-3-(4-fluorophenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]-1,4,6-trimethylpyridin-2-one is Cc1cc(C)n(C)c(=O)c1-c1nc([C@]2(c3ccc(F)cc3)CCOC2)no1.
What is the InChIKey of 3-[3-[(3R)-3-(4-fluorophenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]-1,4,6-trimethylpyridin-2-one?
The InChIKey is BPEQYSAFHMOOQQ-HXUWFJFHSA-N. The full InChI is InChI=1S/C20H20FN3O3/c1-12-10-13(2)24(3)18(25)16(12)17-22-19(23-27-17)20(8-9-26-11-20)14-4-6-15(21)7-5-14/h4-7,10H,8-9,11H2,1-3H3/t20-/m1/s1.
What are the key properties of 3-[3-[(3R)-3-(4-fluorophenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]-1,4,6-trimethylpyridin-2-one?
3-[3-[(3R)-3-(4-fluorophenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]-1,4,6-trimethylpyridin-2-one has a molecular weight of 369.40 g/mol, XLogP of 2.90, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[(3R)-3-(4-fluorophenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]-1,4,6-trimethylpyridin-2-one is sourced from PubChem (CID 95204467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).