[2-(phenoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl]-pyridazin-3-ylmethanone

C18H16N4O3 — CID 66609402

IUPAC[2-(phenoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl]-pyridazin-3-ylmethanone
SMILESO=C(c1cccnn1)N1CCc2nc(COc3ccccc3)oc2C1
InChIInChI=1S/C18H16N4O3/c23-18(15-7-4-9-19-21-15)22-10-8-14-16(11-22)25-17(20-14)12-24-13-5-2-1-3-6-13/h1-7,9H,8,10-12H2
InChIKeyLBHWQHYQIWQLER-UHFFFAOYSA-N
MW336.35 g/mol
LogP2.24
Rot. Bonds4

About [2-(phenoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl]-pyridazin-3-ylmethanone

[2-(phenoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl]-pyridazin-3-ylmethanone (PubChem CID 66609402) has the molecular formula C18H16N4O3 and a molecular weight of 336.35 g/mol. Its IUPAC name is [2-(phenoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl]-pyridazin-3-ylmethanone.

Molecular Properties

Compound Name[2-(phenoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl]-pyridazin-3-ylmethanone
PubChem CID66609402
Molecular FormulaC18H16N4O3
Molecular Weight336.35 g/mol
Exact Mass336.12
IUPAC Name[2-(phenoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl]-pyridazin-3-ylmethanone
SMILESO=C(c1cccnn1)N1CCc2nc(COc3ccccc3)oc2C1
InChIInChI=1S/C18H16N4O3/c23-18(15-7-4-9-19-21-15)22-10-8-14-16(11-22)25-17(20-14)12-24-13-5-2-1-3-6-13/h1-7,9H,8,10-12H2
InChIKeyLBHWQHYQIWQLER-UHFFFAOYSA-N
XLogP2.24
TPSA81.35 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.35
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-(phenoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl]-pyridazin-3-ylmethanone?
The IUPAC name of [2-(phenoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl]-pyridazin-3-ylmethanone (CID 66609402) is [2-(phenoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl]-pyridazin-3-ylmethanone.
What is the SMILES notation for [2-(phenoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl]-pyridazin-3-ylmethanone?
The canonical SMILES for [2-(phenoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl]-pyridazin-3-ylmethanone is O=C(c1cccnn1)N1CCc2nc(COc3ccccc3)oc2C1.
What is the InChIKey of [2-(phenoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl]-pyridazin-3-ylmethanone?
The InChIKey is LBHWQHYQIWQLER-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O3/c23-18(15-7-4-9-19-21-15)22-10-8-14-16(11-22)25-17(20-14)12-24-13-5-2-1-3-6-13/h1-7,9H,8,10-12H2.
What are the key properties of [2-(phenoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl]-pyridazin-3-ylmethanone?
[2-(phenoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl]-pyridazin-3-ylmethanone has a molecular weight of 336.35 g/mol, XLogP of 2.24, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(phenoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl]-pyridazin-3-ylmethanone is sourced from PubChem (CID 66609402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).