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

C20H15F3N2O3 — CID 66608640

IUPAC(3,4-difluorophenyl)-[2-[(3-fluorophenoxy)methyl]-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl]methanone
SMILESO=C(c1ccc(F)c(F)c1)N1CCc2nc(COc3cccc(F)c3)oc2C1
InChIInChI=1S/C20H15F3N2O3/c21-13-2-1-3-14(9-13)27-11-19-24-17-6-7-25(10-18(17)28-19)20(26)12-4-5-15(22)16(23)8-12/h1-5,8-9H,6-7,10-11H2
InChIKeyGELNMYYLYMWTIJ-UHFFFAOYSA-N
MW388.35 g/mol
LogP3.87
Rot. Bonds4

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

(3,4-difluorophenyl)-[2-[(3-fluorophenoxy)methyl]-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl]methanone (PubChem CID 66608640) has the molecular formula C20H15F3N2O3 and a molecular weight of 388.35 g/mol. Its IUPAC name is (3,4-difluorophenyl)-[2-[(3-fluorophenoxy)methyl]-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl]methanone.

Molecular Properties

Compound Name(3,4-difluorophenyl)-[2-[(3-fluorophenoxy)methyl]-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl]methanone
PubChem CID66608640
Molecular FormulaC20H15F3N2O3
Molecular Weight388.35 g/mol
Exact Mass388.10
IUPAC Name(3,4-difluorophenyl)-[2-[(3-fluorophenoxy)methyl]-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl]methanone
SMILESO=C(c1ccc(F)c(F)c1)N1CCc2nc(COc3cccc(F)c3)oc2C1
InChIInChI=1S/C20H15F3N2O3/c21-13-2-1-3-14(9-13)27-11-19-24-17-6-7-25(10-18(17)28-19)20(26)12-4-5-15(22)16(23)8-12/h1-5,8-9H,6-7,10-11H2
InChIKeyGELNMYYLYMWTIJ-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 (3,4-difluorophenyl)-[2-[(3-fluorophenoxy)methyl]-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl]methanone?
The IUPAC name of (3,4-difluorophenyl)-[2-[(3-fluorophenoxy)methyl]-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl]methanone (CID 66608640) is (3,4-difluorophenyl)-[2-[(3-fluorophenoxy)methyl]-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl]methanone.
What is the SMILES notation for (3,4-difluorophenyl)-[2-[(3-fluorophenoxy)methyl]-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl]methanone?
The canonical SMILES for (3,4-difluorophenyl)-[2-[(3-fluorophenoxy)methyl]-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl]methanone is O=C(c1ccc(F)c(F)c1)N1CCc2nc(COc3cccc(F)c3)oc2C1.
What is the InChIKey of (3,4-difluorophenyl)-[2-[(3-fluorophenoxy)methyl]-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl]methanone?
The InChIKey is GELNMYYLYMWTIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F3N2O3/c21-13-2-1-3-14(9-13)27-11-19-24-17-6-7-25(10-18(17)28-19)20(26)12-4-5-15(22)16(23)8-12/h1-5,8-9H,6-7,10-11H2.
What are the key properties of (3,4-difluorophenyl)-[2-[(3-fluorophenoxy)methyl]-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl]methanone?
(3,4-difluorophenyl)-[2-[(3-fluorophenoxy)methyl]-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl]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 (3,4-difluorophenyl)-[2-[(3-fluorophenoxy)methyl]-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl]methanone is sourced from PubChem (CID 66608640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).