1-[2-[3-(4-fluorophenyl)-5,7-dihydro-4H-[1,2]oxazolo[3,4-c]pyridin-6-yl]-2-oxoethyl]-2,6-dimethylpyridin-4-one

C21H20FN3O3 — CID 108811599

IUPAC1-[2-[3-(4-fluorophenyl)-5,7-dihydro-4H-[1,2]oxazolo[3,4-c]pyridin-6-yl]-2-oxoethyl]-2,6-dimethylpyridin-4-one
SMILESCc1cc(=O)cc(C)n1CC(=O)N1CCc2c(noc2-c2ccc(F)cc2)C1
InChIInChI=1S/C21H20FN3O3/c1-13-9-17(26)10-14(2)25(13)12-20(27)24-8-7-18-19(11-24)23-28-21(18)15-3-5-16(22)6-4-15/h3-6,9-10H,7-8,11-12H2,1-2H3
InChIKeyBUGGJFIMBVKIRE-UHFFFAOYSA-N
MW381.41 g/mol
LogP2.84
Rot. Bonds3

About 1-[2-[3-(4-fluorophenyl)-5,7-dihydro-4H-[1,2]oxazolo[3,4-c]pyridin-6-yl]-2-oxoethyl]-2,6-dimethylpyridin-4-one

1-[2-[3-(4-fluorophenyl)-5,7-dihydro-4H-[1,2]oxazolo[3,4-c]pyridin-6-yl]-2-oxoethyl]-2,6-dimethylpyridin-4-one (PubChem CID 108811599) has the molecular formula C21H20FN3O3 and a molecular weight of 381.41 g/mol. Its IUPAC name is 1-[2-[3-(4-fluorophenyl)-5,7-dihydro-4H-[1,2]oxazolo[3,4-c]pyridin-6-yl]-2-oxoethyl]-2,6-dimethylpyridin-4-one.

Molecular Properties

Compound Name1-[2-[3-(4-fluorophenyl)-5,7-dihydro-4H-[1,2]oxazolo[3,4-c]pyridin-6-yl]-2-oxoethyl]-2,6-dimethylpyridin-4-one
PubChem CID108811599
Molecular FormulaC21H20FN3O3
Molecular Weight381.41 g/mol
Exact Mass381.15
IUPAC Name1-[2-[3-(4-fluorophenyl)-5,7-dihydro-4H-[1,2]oxazolo[3,4-c]pyridin-6-yl]-2-oxoethyl]-2,6-dimethylpyridin-4-one
SMILESCc1cc(=O)cc(C)n1CC(=O)N1CCc2c(noc2-c2ccc(F)cc2)C1
InChIInChI=1S/C21H20FN3O3/c1-13-9-17(26)10-14(2)25(13)12-20(27)24-8-7-18-19(11-24)23-28-21(18)15-3-5-16(22)6-4-15/h3-6,9-10H,7-8,11-12H2,1-2H3
InChIKeyBUGGJFIMBVKIRE-UHFFFAOYSA-N
XLogP2.84
TPSA68.34 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.41
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[2-[3-(4-fluorophenyl)-5,7-dihydro-4H-[1,2]oxazolo[3,4-c]pyridin-6-yl]-2-oxoethyl]-2,6-dimethylpyridin-4-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[3-(4-fluorophenyl)-5,7-dihydro-4H-[1,2]oxazolo[3,4-c]pyridin-6-yl]-2-oxoethyl]-2,6-dimethylpyridin-4-one?
The IUPAC name of 1-[2-[3-(4-fluorophenyl)-5,7-dihydro-4H-[1,2]oxazolo[3,4-c]pyridin-6-yl]-2-oxoethyl]-2,6-dimethylpyridin-4-one (CID 108811599) is 1-[2-[3-(4-fluorophenyl)-5,7-dihydro-4H-[1,2]oxazolo[3,4-c]pyridin-6-yl]-2-oxoethyl]-2,6-dimethylpyridin-4-one.
What is the SMILES notation for 1-[2-[3-(4-fluorophenyl)-5,7-dihydro-4H-[1,2]oxazolo[3,4-c]pyridin-6-yl]-2-oxoethyl]-2,6-dimethylpyridin-4-one?
The canonical SMILES for 1-[2-[3-(4-fluorophenyl)-5,7-dihydro-4H-[1,2]oxazolo[3,4-c]pyridin-6-yl]-2-oxoethyl]-2,6-dimethylpyridin-4-one is Cc1cc(=O)cc(C)n1CC(=O)N1CCc2c(noc2-c2ccc(F)cc2)C1.
What is the InChIKey of 1-[2-[3-(4-fluorophenyl)-5,7-dihydro-4H-[1,2]oxazolo[3,4-c]pyridin-6-yl]-2-oxoethyl]-2,6-dimethylpyridin-4-one?
The InChIKey is BUGGJFIMBVKIRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN3O3/c1-13-9-17(26)10-14(2)25(13)12-20(27)24-8-7-18-19(11-24)23-28-21(18)15-3-5-16(22)6-4-15/h3-6,9-10H,7-8,11-12H2,1-2H3.
What are the key properties of 1-[2-[3-(4-fluorophenyl)-5,7-dihydro-4H-[1,2]oxazolo[3,4-c]pyridin-6-yl]-2-oxoethyl]-2,6-dimethylpyridin-4-one?
1-[2-[3-(4-fluorophenyl)-5,7-dihydro-4H-[1,2]oxazolo[3,4-c]pyridin-6-yl]-2-oxoethyl]-2,6-dimethylpyridin-4-one has a molecular weight of 381.41 g/mol, XLogP of 2.84, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[3-(4-fluorophenyl)-5,7-dihydro-4H-[1,2]oxazolo[3,4-c]pyridin-6-yl]-2-oxoethyl]-2,6-dimethylpyridin-4-one is sourced from PubChem (CID 108811599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).