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

C20H17FN2O3 — CID 66609115

IUPAC[2-[(3-fluorophenoxy)methyl]-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl]-phenylmethanone
SMILESO=C(c1ccccc1)N1CCc2nc(COc3cccc(F)c3)oc2C1
InChIInChI=1S/C20H17FN2O3/c21-15-7-4-8-16(11-15)25-13-19-22-17-9-10-23(12-18(17)26-19)20(24)14-5-2-1-3-6-14/h1-8,11H,9-10,12-13H2
InChIKeyJNBPBOVUMYBOAD-UHFFFAOYSA-N
MW352.37 g/mol
LogP3.59
Rot. Bonds4

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

[2-[(3-fluorophenoxy)methyl]-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl]-phenylmethanone (PubChem CID 66609115) has the molecular formula C20H17FN2O3 and a molecular weight of 352.37 g/mol. Its IUPAC name is [2-[(3-fluorophenoxy)methyl]-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl]-phenylmethanone.

Molecular Properties

Compound Name[2-[(3-fluorophenoxy)methyl]-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl]-phenylmethanone
PubChem CID66609115
Molecular FormulaC20H17FN2O3
Molecular Weight352.37 g/mol
Exact Mass352.12
IUPAC Name[2-[(3-fluorophenoxy)methyl]-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl]-phenylmethanone
SMILESO=C(c1ccccc1)N1CCc2nc(COc3cccc(F)c3)oc2C1
InChIInChI=1S/C20H17FN2O3/c21-15-7-4-8-16(11-15)25-13-19-22-17-9-10-23(12-18(17)26-19)20(24)14-5-2-1-3-6-14/h1-8,11H,9-10,12-13H2
InChIKeyJNBPBOVUMYBOAD-UHFFFAOYSA-N
XLogP3.59
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.37
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-[(3-fluorophenoxy)methyl]-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl]-phenylmethanone?
The IUPAC name of [2-[(3-fluorophenoxy)methyl]-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl]-phenylmethanone (CID 66609115) is [2-[(3-fluorophenoxy)methyl]-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl]-phenylmethanone.
What is the SMILES notation for [2-[(3-fluorophenoxy)methyl]-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl]-phenylmethanone?
The canonical SMILES for [2-[(3-fluorophenoxy)methyl]-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl]-phenylmethanone is O=C(c1ccccc1)N1CCc2nc(COc3cccc(F)c3)oc2C1.
What is the InChIKey of [2-[(3-fluorophenoxy)methyl]-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl]-phenylmethanone?
The InChIKey is JNBPBOVUMYBOAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN2O3/c21-15-7-4-8-16(11-15)25-13-19-22-17-9-10-23(12-18(17)26-19)20(24)14-5-2-1-3-6-14/h1-8,11H,9-10,12-13H2.
What are the key properties of [2-[(3-fluorophenoxy)methyl]-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl]-phenylmethanone?
[2-[(3-fluorophenoxy)methyl]-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl]-phenylmethanone has a molecular weight of 352.37 g/mol, XLogP of 3.59, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(3-fluorophenoxy)methyl]-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl]-phenylmethanone is sourced from PubChem (CID 66609115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).