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

C21H17FN2O4 — CID 45181240

IUPAC2,3-dihydro-1,4-benzodioxin-3-yl-[3-(3-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]methanone
SMILESO=C(C1COc2ccccc2O1)N1CCc2onc(-c3cccc(F)c3)c2C1
InChIInChI=1S/C21H17FN2O4/c22-14-5-3-4-13(10-14)20-15-11-24(9-8-16(15)28-23-20)21(25)19-12-26-17-6-1-2-7-18(17)27-19/h1-7,10,19H,8-9,11-12H2
InChIKeyGCZYEYUAHDYUQL-UHFFFAOYSA-N
MW380.38 g/mol
LogP3.21
Rot. Bonds2

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

2,3-dihydro-1,4-benzodioxin-3-yl-[3-(3-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]methanone (PubChem CID 45181240) has the molecular formula C21H17FN2O4 and a molecular weight of 380.38 g/mol. Its IUPAC name is 2,3-dihydro-1,4-benzodioxin-3-yl-[3-(3-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]methanone.

Molecular Properties

Compound Name2,3-dihydro-1,4-benzodioxin-3-yl-[3-(3-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]methanone
PubChem CID45181240
Molecular FormulaC21H17FN2O4
Molecular Weight380.38 g/mol
Exact Mass380.12
IUPAC Name2,3-dihydro-1,4-benzodioxin-3-yl-[3-(3-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]methanone
SMILESO=C(C1COc2ccccc2O1)N1CCc2onc(-c3cccc(F)c3)c2C1
InChIInChI=1S/C21H17FN2O4/c22-14-5-3-4-13(10-14)20-15-11-24(9-8-16(15)28-23-20)21(25)19-12-26-17-6-1-2-7-18(17)27-19/h1-7,10,19H,8-9,11-12H2
InChIKeyGCZYEYUAHDYUQL-UHFFFAOYSA-N
XLogP3.21
TPSA64.80 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.38
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

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Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1,4-benzodioxin-3-yl-[3-(3-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]methanone?
The IUPAC name of 2,3-dihydro-1,4-benzodioxin-3-yl-[3-(3-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]methanone (CID 45181240) is 2,3-dihydro-1,4-benzodioxin-3-yl-[3-(3-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]methanone.
What is the SMILES notation for 2,3-dihydro-1,4-benzodioxin-3-yl-[3-(3-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]methanone?
The canonical SMILES for 2,3-dihydro-1,4-benzodioxin-3-yl-[3-(3-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]methanone is O=C(C1COc2ccccc2O1)N1CCc2onc(-c3cccc(F)c3)c2C1.
What is the InChIKey of 2,3-dihydro-1,4-benzodioxin-3-yl-[3-(3-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]methanone?
The InChIKey is GCZYEYUAHDYUQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17FN2O4/c22-14-5-3-4-13(10-14)20-15-11-24(9-8-16(15)28-23-20)21(25)19-12-26-17-6-1-2-7-18(17)27-19/h1-7,10,19H,8-9,11-12H2.
What are the key properties of 2,3-dihydro-1,4-benzodioxin-3-yl-[3-(3-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]methanone?
2,3-dihydro-1,4-benzodioxin-3-yl-[3-(3-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]methanone has a molecular weight of 380.38 g/mol, XLogP of 3.21, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1,4-benzodioxin-3-yl-[3-(3-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]methanone is sourced from PubChem (CID 45181240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).