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

C17H15N3O3S — CID 97410196

IUPAC[3-(pyridin-2-yloxymethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-thiophen-3-ylmethanone
SMILESO=C(c1ccsc1)N1CCc2onc(COc3ccccn3)c2C1
InChIInChI=1S/C17H15N3O3S/c21-17(12-5-8-24-11-12)20-7-4-15-13(9-20)14(19-23-15)10-22-16-3-1-2-6-18-16/h1-3,5-6,8,11H,4,7,9-10H2
InChIKeyYHCQMCKQFMZMSS-UHFFFAOYSA-N
MW341.39 g/mol
LogP2.91
Rot. Bonds4

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

[3-(pyridin-2-yloxymethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-thiophen-3-ylmethanone (PubChem CID 97410196) has the molecular formula C17H15N3O3S and a molecular weight of 341.39 g/mol. Its IUPAC name is [3-(pyridin-2-yloxymethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-thiophen-3-ylmethanone.

Molecular Properties

Compound Name[3-(pyridin-2-yloxymethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-thiophen-3-ylmethanone
PubChem CID97410196
Molecular FormulaC17H15N3O3S
Molecular Weight341.39 g/mol
Exact Mass341.08
IUPAC Name[3-(pyridin-2-yloxymethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-thiophen-3-ylmethanone
SMILESO=C(c1ccsc1)N1CCc2onc(COc3ccccn3)c2C1
InChIInChI=1S/C17H15N3O3S/c21-17(12-5-8-24-11-12)20-7-4-15-13(9-20)14(19-23-15)10-22-16-3-1-2-6-18-16/h1-3,5-6,8,11H,4,7,9-10H2
InChIKeyYHCQMCKQFMZMSS-UHFFFAOYSA-N
XLogP2.91
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.39
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [3-(pyridin-2-yloxymethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-thiophen-3-ylmethanone?
The IUPAC name of [3-(pyridin-2-yloxymethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-thiophen-3-ylmethanone (CID 97410196) is [3-(pyridin-2-yloxymethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-thiophen-3-ylmethanone.
What is the SMILES notation for [3-(pyridin-2-yloxymethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-thiophen-3-ylmethanone?
The canonical SMILES for [3-(pyridin-2-yloxymethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-thiophen-3-ylmethanone is O=C(c1ccsc1)N1CCc2onc(COc3ccccn3)c2C1.
What is the InChIKey of [3-(pyridin-2-yloxymethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-thiophen-3-ylmethanone?
The InChIKey is YHCQMCKQFMZMSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O3S/c21-17(12-5-8-24-11-12)20-7-4-15-13(9-20)14(19-23-15)10-22-16-3-1-2-6-18-16/h1-3,5-6,8,11H,4,7,9-10H2.
What are the key properties of [3-(pyridin-2-yloxymethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-thiophen-3-ylmethanone?
[3-(pyridin-2-yloxymethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-thiophen-3-ylmethanone has a molecular weight of 341.39 g/mol, XLogP of 2.91, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(pyridin-2-yloxymethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-thiophen-3-ylmethanone is sourced from PubChem (CID 97410196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).