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

C24H25FN2O3 — CID 108765690

IUPAC1-[3-(4-fluorophenyl)-5,7-dihydro-4H-[1,2]oxazolo[3,4-c]pyridin-6-yl]-2-(2-propan-2-ylphenoxy)propan-1-one
SMILESCC(Oc1ccccc1C(C)C)C(=O)N1CCc2c(noc2-c2ccc(F)cc2)C1
InChIInChI=1S/C24H25FN2O3/c1-15(2)19-6-4-5-7-22(19)29-16(3)24(28)27-13-12-20-21(14-27)26-30-23(20)17-8-10-18(25)11-9-17/h4-11,15-16H,12-14H2,1-3H3
InChIKeyACFKORXIOAKNDV-UHFFFAOYSA-N
MW408.47 g/mol
LogP4.96
Rot. Bonds5

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

1-[3-(4-fluorophenyl)-5,7-dihydro-4H-[1,2]oxazolo[3,4-c]pyridin-6-yl]-2-(2-propan-2-ylphenoxy)propan-1-one (PubChem CID 108765690) has the molecular formula C24H25FN2O3 and a molecular weight of 408.47 g/mol. Its IUPAC name is 1-[3-(4-fluorophenyl)-5,7-dihydro-4H-[1,2]oxazolo[3,4-c]pyridin-6-yl]-2-(2-propan-2-ylphenoxy)propan-1-one.

Molecular Properties

Compound Name1-[3-(4-fluorophenyl)-5,7-dihydro-4H-[1,2]oxazolo[3,4-c]pyridin-6-yl]-2-(2-propan-2-ylphenoxy)propan-1-one
PubChem CID108765690
Molecular FormulaC24H25FN2O3
Molecular Weight408.47 g/mol
Exact Mass408.18
IUPAC Name1-[3-(4-fluorophenyl)-5,7-dihydro-4H-[1,2]oxazolo[3,4-c]pyridin-6-yl]-2-(2-propan-2-ylphenoxy)propan-1-one
SMILESCC(Oc1ccccc1C(C)C)C(=O)N1CCc2c(noc2-c2ccc(F)cc2)C1
InChIInChI=1S/C24H25FN2O3/c1-15(2)19-6-4-5-7-22(19)29-16(3)24(28)27-13-12-20-21(14-27)26-30-23(20)17-8-10-18(25)11-9-17/h4-11,15-16H,12-14H2,1-3H3
InChIKeyACFKORXIOAKNDV-UHFFFAOYSA-N
XLogP4.96
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.47
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

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Related Compounds

1-[3-(4-chlorophenyl)-5,7-dihydro-4H-[1,2]oxazolo[3,4-c]pyridin-6-yl]-2-(2-propan-2-ylphenoxy)propan-1-one
CID 108765831
2-(2,4-dichlorophenoxy)-1-[3-(4-fluorophenyl)-5,7-dihydro-4H-[1,2]oxazolo[3,4-c]pyridin-6-yl]propan-1-one
CID 108743245
2-(2-bromo-4-chlorophenoxy)-1-[3-(4-fluorophenyl)-5,7-dihydro-4H-[1,2]oxazolo[3,4-c]pyridin-6-yl]propan-1-one
CID 108765693
2-chloro-1-[3-(4-fluorophenyl)-5,7-dihydro-4H-[1,2]oxazolo[3,4-c]pyridin-6-yl]ethanone
CID 108743296
2-chloro-1-[3-(4-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridin-5-yl]propan-1-one
CID 108727198
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
[3-(4-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridin-5-yl]-(4-propan-2-ylphenyl)methanone
CID 108727184
2-[1-[3-(4-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridin-5-yl]-1-oxopropan-2-yl]isoindole-1,3-dione
CID 108751197
5-[3-(4-fluorophenyl)-5,7-dihydro-4H-[1,2]oxazolo[3,4-c]pyridine-6-carbonyl]-2-propan-2-ylisoindole-1,3-dione
CID 108765620
ethyl [4-[3-(4-fluorophenyl)-5,7-dihydro-4H-[1,2]oxazolo[3,4-c]pyridine-6-carbonyl]phenyl] carbonate
CID 108765581
[3-(4-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridin-5-yl]-(2-methoxyphenyl)methanone
CID 108751163
(2-chloro-6-fluorophenyl)-[3-(4-fluorophenyl)-5,7-dihydro-4H-[1,2]oxazolo[3,4-c]pyridin-6-yl]methanone
CID 108743287

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-fluorophenyl)-5,7-dihydro-4H-[1,2]oxazolo[3,4-c]pyridin-6-yl]-2-(2-propan-2-ylphenoxy)propan-1-one?
The IUPAC name of 1-[3-(4-fluorophenyl)-5,7-dihydro-4H-[1,2]oxazolo[3,4-c]pyridin-6-yl]-2-(2-propan-2-ylphenoxy)propan-1-one (CID 108765690) is 1-[3-(4-fluorophenyl)-5,7-dihydro-4H-[1,2]oxazolo[3,4-c]pyridin-6-yl]-2-(2-propan-2-ylphenoxy)propan-1-one.
What is the SMILES notation for 1-[3-(4-fluorophenyl)-5,7-dihydro-4H-[1,2]oxazolo[3,4-c]pyridin-6-yl]-2-(2-propan-2-ylphenoxy)propan-1-one?
The canonical SMILES for 1-[3-(4-fluorophenyl)-5,7-dihydro-4H-[1,2]oxazolo[3,4-c]pyridin-6-yl]-2-(2-propan-2-ylphenoxy)propan-1-one is CC(Oc1ccccc1C(C)C)C(=O)N1CCc2c(noc2-c2ccc(F)cc2)C1.
What is the InChIKey of 1-[3-(4-fluorophenyl)-5,7-dihydro-4H-[1,2]oxazolo[3,4-c]pyridin-6-yl]-2-(2-propan-2-ylphenoxy)propan-1-one?
The InChIKey is ACFKORXIOAKNDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN2O3/c1-15(2)19-6-4-5-7-22(19)29-16(3)24(28)27-13-12-20-21(14-27)26-30-23(20)17-8-10-18(25)11-9-17/h4-11,15-16H,12-14H2,1-3H3.
What are the key properties of 1-[3-(4-fluorophenyl)-5,7-dihydro-4H-[1,2]oxazolo[3,4-c]pyridin-6-yl]-2-(2-propan-2-ylphenoxy)propan-1-one?
1-[3-(4-fluorophenyl)-5,7-dihydro-4H-[1,2]oxazolo[3,4-c]pyridin-6-yl]-2-(2-propan-2-ylphenoxy)propan-1-one has a molecular weight of 408.47 g/mol, XLogP of 4.96, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-fluorophenyl)-5,7-dihydro-4H-[1,2]oxazolo[3,4-c]pyridin-6-yl]-2-(2-propan-2-ylphenoxy)propan-1-one is sourced from PubChem (CID 108765690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).