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

C20H15F3N2O3 — CID 122186362

IUPAC(2,6-difluorophenyl)-[2-[(3-fluorophenoxy)methyl]-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl]methanone
SMILESO=C(c1c(F)cccc1F)N1CCc2nc(COc3cccc(F)c3)oc2C1
InChIInChI=1S/C20H15F3N2O3/c21-12-3-1-4-13(9-12)27-11-18-24-16-7-8-25(10-17(16)28-18)20(26)19-14(22)5-2-6-15(19)23/h1-6,9H,7-8,10-11H2
InChIKeyLYTJNDUBGHONAL-UHFFFAOYSA-N
MW388.35 g/mol
LogP3.87
Rot. Bonds4

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

(2,6-difluorophenyl)-[2-[(3-fluorophenoxy)methyl]-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl]methanone (PubChem CID 122186362) has the molecular formula C20H15F3N2O3 and a molecular weight of 388.35 g/mol. Its IUPAC name is (2,6-difluorophenyl)-[2-[(3-fluorophenoxy)methyl]-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl]methanone.

Molecular Properties

Compound Name(2,6-difluorophenyl)-[2-[(3-fluorophenoxy)methyl]-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl]methanone
PubChem CID122186362
Molecular FormulaC20H15F3N2O3
Molecular Weight388.35 g/mol
Exact Mass388.10
IUPAC Name(2,6-difluorophenyl)-[2-[(3-fluorophenoxy)methyl]-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl]methanone
SMILESO=C(c1c(F)cccc1F)N1CCc2nc(COc3cccc(F)c3)oc2C1
InChIInChI=1S/C20H15F3N2O3/c21-12-3-1-4-13(9-12)27-11-18-24-16-7-8-25(10-17(16)28-18)20(26)19-14(22)5-2-6-15(19)23/h1-6,9H,7-8,10-11H2
InChIKeyLYTJNDUBGHONAL-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 (2,6-difluorophenyl)-[2-[(3-fluorophenoxy)methyl]-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl]methanone?
The IUPAC name of (2,6-difluorophenyl)-[2-[(3-fluorophenoxy)methyl]-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl]methanone (CID 122186362) is (2,6-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 (2,6-difluorophenyl)-[2-[(3-fluorophenoxy)methyl]-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl]methanone?
The canonical SMILES for (2,6-difluorophenyl)-[2-[(3-fluorophenoxy)methyl]-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl]methanone is O=C(c1c(F)cccc1F)N1CCc2nc(COc3cccc(F)c3)oc2C1.
What is the InChIKey of (2,6-difluorophenyl)-[2-[(3-fluorophenoxy)methyl]-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl]methanone?
The InChIKey is LYTJNDUBGHONAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F3N2O3/c21-12-3-1-4-13(9-12)27-11-18-24-16-7-8-25(10-17(16)28-18)20(26)19-14(22)5-2-6-15(19)23/h1-6,9H,7-8,10-11H2.
What are the key properties of (2,6-difluorophenyl)-[2-[(3-fluorophenoxy)methyl]-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl]methanone?
(2,6-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 (2,6-difluorophenyl)-[2-[(3-fluorophenoxy)methyl]-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl]methanone is sourced from PubChem (CID 122186362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).