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

C21H17Cl2FN2O3 — CID 108743245

IUPAC2-(2,4-dichlorophenoxy)-1-[3-(4-fluorophenyl)-5,7-dihydro-4H-[1,2]oxazolo[3,4-c]pyridin-6-yl]propan-1-one
SMILESCC(Oc1ccc(Cl)cc1Cl)C(=O)N1CCc2c(noc2-c2ccc(F)cc2)C1
InChIInChI=1S/C21H17Cl2FN2O3/c1-12(28-19-7-4-14(22)10-17(19)23)21(27)26-9-8-16-18(11-26)25-29-20(16)13-2-5-15(24)6-3-13/h2-7,10,12H,8-9,11H2,1H3
InChIKeyVAAUUIHKYPVVTB-UHFFFAOYSA-N
MW435.28 g/mol
LogP5.14
Rot. Bonds4

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

2-(2,4-dichlorophenoxy)-1-[3-(4-fluorophenyl)-5,7-dihydro-4H-[1,2]oxazolo[3,4-c]pyridin-6-yl]propan-1-one (PubChem CID 108743245) has the molecular formula C21H17Cl2FN2O3 and a molecular weight of 435.28 g/mol. Its IUPAC name is 2-(2,4-dichlorophenoxy)-1-[3-(4-fluorophenyl)-5,7-dihydro-4H-[1,2]oxazolo[3,4-c]pyridin-6-yl]propan-1-one.

Molecular Properties

Compound Name2-(2,4-dichlorophenoxy)-1-[3-(4-fluorophenyl)-5,7-dihydro-4H-[1,2]oxazolo[3,4-c]pyridin-6-yl]propan-1-one
PubChem CID108743245
Molecular FormulaC21H17Cl2FN2O3
Molecular Weight435.28 g/mol
Exact Mass434.06
IUPAC Name2-(2,4-dichlorophenoxy)-1-[3-(4-fluorophenyl)-5,7-dihydro-4H-[1,2]oxazolo[3,4-c]pyridin-6-yl]propan-1-one
SMILESCC(Oc1ccc(Cl)cc1Cl)C(=O)N1CCc2c(noc2-c2ccc(F)cc2)C1
InChIInChI=1S/C21H17Cl2FN2O3/c1-12(28-19-7-4-14(22)10-17(19)23)21(27)26-9-8-16-18(11-26)25-29-20(16)13-2-5-15(24)6-3-13/h2-7,10,12H,8-9,11H2,1H3
InChIKeyVAAUUIHKYPVVTB-UHFFFAOYSA-N
XLogP5.14
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.28
LogP ≤ 55.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

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Related Compounds

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
1-[3-(4-chlorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridin-5-yl]-2-(2,4-dichlorophenoxy)propan-1-one
CID 108726977
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
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-chloro-6-fluorophenyl)-[3-(4-fluorophenyl)-5,7-dihydro-4H-[1,2]oxazolo[3,4-c]pyridin-6-yl]methanone
CID 108743287
2-chloro-1-[3-(4-fluorophenyl)-5,7-dihydro-4H-[1,2]oxazolo[3,4-c]pyridin-6-yl]ethanone
CID 108743296
1-(4-chlorophenyl)-4-[3-(4-fluorophenyl)-5,7-dihydro-4H-[1,2]oxazolo[3,4-c]pyridin-6-yl]butane-1,4-dione
CID 108743362
[3-(4-chlorophenyl)-5,7-dihydro-4H-[1,2]oxazolo[3,4-c]pyridin-6-yl]-(3,4-difluorophenyl)methanone
CID 108743531
[3-(4-chlorophenyl)-5,7-dihydro-4H-[1,2]oxazolo[3,4-c]pyridin-6-yl]-(2,3,6-trichlorophenyl)methanone
CID 108743393
2-chloro-1-[3-(4-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridin-5-yl]propan-1-one
CID 108727198
(7-chloro-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)-[3-(4-fluorophenyl)-5,7-dihydro-4H-[1,2]oxazolo[3,4-c]pyridin-6-yl]methanone
CID 108809755
2-(2,4-dichlorophenoxy)-1-[2-(4-fluorophenyl)morpholin-4-yl]propan-1-one
CID 42949362

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenoxy)-1-[3-(4-fluorophenyl)-5,7-dihydro-4H-[1,2]oxazolo[3,4-c]pyridin-6-yl]propan-1-one?
The IUPAC name of 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) is 2-(2,4-dichlorophenoxy)-1-[3-(4-fluorophenyl)-5,7-dihydro-4H-[1,2]oxazolo[3,4-c]pyridin-6-yl]propan-1-one.
What is the SMILES notation for 2-(2,4-dichlorophenoxy)-1-[3-(4-fluorophenyl)-5,7-dihydro-4H-[1,2]oxazolo[3,4-c]pyridin-6-yl]propan-1-one?
The canonical SMILES for 2-(2,4-dichlorophenoxy)-1-[3-(4-fluorophenyl)-5,7-dihydro-4H-[1,2]oxazolo[3,4-c]pyridin-6-yl]propan-1-one is CC(Oc1ccc(Cl)cc1Cl)C(=O)N1CCc2c(noc2-c2ccc(F)cc2)C1.
What is the InChIKey of 2-(2,4-dichlorophenoxy)-1-[3-(4-fluorophenyl)-5,7-dihydro-4H-[1,2]oxazolo[3,4-c]pyridin-6-yl]propan-1-one?
The InChIKey is VAAUUIHKYPVVTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17Cl2FN2O3/c1-12(28-19-7-4-14(22)10-17(19)23)21(27)26-9-8-16-18(11-26)25-29-20(16)13-2-5-15(24)6-3-13/h2-7,10,12H,8-9,11H2,1H3.
What are the key properties of 2-(2,4-dichlorophenoxy)-1-[3-(4-fluorophenyl)-5,7-dihydro-4H-[1,2]oxazolo[3,4-c]pyridin-6-yl]propan-1-one?
2-(2,4-dichlorophenoxy)-1-[3-(4-fluorophenyl)-5,7-dihydro-4H-[1,2]oxazolo[3,4-c]pyridin-6-yl]propan-1-one has a molecular weight of 435.28 g/mol, XLogP of 5.14, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenoxy)-1-[3-(4-fluorophenyl)-5,7-dihydro-4H-[1,2]oxazolo[3,4-c]pyridin-6-yl]propan-1-one is sourced from PubChem (CID 108743245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).