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

C20H15F3N2O3 — CID 66609033

IUPAC[2-[(3,4-difluorophenoxy)methyl]-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl]-(4-fluorophenyl)methanone
SMILESO=C(c1ccc(F)cc1)N1CCc2nc(COc3ccc(F)c(F)c3)oc2C1
InChIInChI=1S/C20H15F3N2O3/c21-13-3-1-12(2-4-13)20(26)25-8-7-17-18(10-25)28-19(24-17)11-27-14-5-6-15(22)16(23)9-14/h1-6,9H,7-8,10-11H2
InChIKeyKHQANWJGBXIMEV-UHFFFAOYSA-N
MW388.35 g/mol
LogP3.87
Rot. Bonds4

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

[2-[(3,4-difluorophenoxy)methyl]-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl]-(4-fluorophenyl)methanone (PubChem CID 66609033) has the molecular formula C20H15F3N2O3 and a molecular weight of 388.35 g/mol. Its IUPAC name is [2-[(3,4-difluorophenoxy)methyl]-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl]-(4-fluorophenyl)methanone.

Molecular Properties

Compound Name[2-[(3,4-difluorophenoxy)methyl]-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl]-(4-fluorophenyl)methanone
PubChem CID66609033
Molecular FormulaC20H15F3N2O3
Molecular Weight388.35 g/mol
Exact Mass388.10
IUPAC Name[2-[(3,4-difluorophenoxy)methyl]-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl]-(4-fluorophenyl)methanone
SMILESO=C(c1ccc(F)cc1)N1CCc2nc(COc3ccc(F)c(F)c3)oc2C1
InChIInChI=1S/C20H15F3N2O3/c21-13-3-1-12(2-4-13)20(26)25-8-7-17-18(10-25)28-19(24-17)11-27-14-5-6-15(22)16(23)9-14/h1-6,9H,7-8,10-11H2
InChIKeyKHQANWJGBXIMEV-UHFFFAOYSA-N
XLogP3.87
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.35
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-[(3,4-difluorophenoxy)methyl]-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl]-(4-fluorophenyl)methanone?
The IUPAC name of [2-[(3,4-difluorophenoxy)methyl]-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl]-(4-fluorophenyl)methanone (CID 66609033) is [2-[(3,4-difluorophenoxy)methyl]-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl]-(4-fluorophenyl)methanone.
What is the SMILES notation for [2-[(3,4-difluorophenoxy)methyl]-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl]-(4-fluorophenyl)methanone?
The canonical SMILES for [2-[(3,4-difluorophenoxy)methyl]-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl]-(4-fluorophenyl)methanone is O=C(c1ccc(F)cc1)N1CCc2nc(COc3ccc(F)c(F)c3)oc2C1.
What is the InChIKey of [2-[(3,4-difluorophenoxy)methyl]-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl]-(4-fluorophenyl)methanone?
The InChIKey is KHQANWJGBXIMEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F3N2O3/c21-13-3-1-12(2-4-13)20(26)25-8-7-17-18(10-25)28-19(24-17)11-27-14-5-6-15(22)16(23)9-14/h1-6,9H,7-8,10-11H2.
What are the key properties of [2-[(3,4-difluorophenoxy)methyl]-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl]-(4-fluorophenyl)methanone?
[2-[(3,4-difluorophenoxy)methyl]-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl]-(4-fluorophenyl)methanone has a molecular weight of 388.35 g/mol, XLogP of 3.87, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(3,4-difluorophenoxy)methyl]-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl]-(4-fluorophenyl)methanone is sourced from PubChem (CID 66609033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).