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

C18H17N5O3 — CID 97405922

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

(5-methylpyrazin-2-yl)-[3-(pyridin-3-yloxymethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]methanone (PubChem CID 97405922) has the molecular formula C18H17N5O3 and a molecular weight of 351.37 g/mol. Its IUPAC name is (5-methylpyrazin-2-yl)-[3-(pyridin-3-yloxymethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]methanone.

Molecular Properties

• Compound Name: (5-methylpyrazin-2-yl)-[3-(pyridin-3-yloxymethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]methanone
• PubChem CID: 97405922
• Molecular Formula: C18H17N5O3
• Molecular Weight: 351.37 g/mol
• Exact Mass: 351.13
• IUPAC Name: (5-methylpyrazin-2-yl)-[3-(pyridin-3-yloxymethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]methanone
• SMILES: Cc1cnc(C(=O)N2CCc3onc(COc4cccnc4)c3C2)cn1
• InChI: InChI=1S/C18H17N5O3/c1-12-7-21-15(9-20-12)18(24)23-6-4-17-14(10-23)16(22-26-17)11-25-13-3-2-5-19-8-13/h2-3,5,7-9H,4,6,10-11H2,1H3
• InChIKey: JOIJQNJDNHEUJP-UHFFFAOYSA-N
• XLogP: 1.95
• TPSA: 94.24 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	351.37
LogP ≤ 5	1.95
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of (5-methylpyrazin-2-yl)-[3-(pyridin-3-yloxymethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]methanone?

The IUPAC name of (5-methylpyrazin-2-yl)-[3-(pyridin-3-yloxymethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]methanone (CID 97405922) is (5-methylpyrazin-2-yl)-[3-(pyridin-3-yloxymethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]methanone.

What is the SMILES notation for (5-methylpyrazin-2-yl)-[3-(pyridin-3-yloxymethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]methanone?

The canonical SMILES for (5-methylpyrazin-2-yl)-[3-(pyridin-3-yloxymethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]methanone is Cc1cnc(C(=O)N2CCc3onc(COc4cccnc4)c3C2)cn1.

What is the InChIKey of (5-methylpyrazin-2-yl)-[3-(pyridin-3-yloxymethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]methanone?

The InChIKey is JOIJQNJDNHEUJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O3/c1-12-7-21-15(9-20-12)18(24)23-6-4-17-14(10-23)16(22-26-17)11-25-13-3-2-5-19-8-13/h2-3,5,7-9H,4,6,10-11H2,1H3.

What are the key properties of (5-methylpyrazin-2-yl)-[3-(pyridin-3-yloxymethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]methanone?

(5-methylpyrazin-2-yl)-[3-(pyridin-3-yloxymethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]methanone has a molecular weight of 351.37 g/mol, XLogP of 1.95, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (5-methylpyrazin-2-yl)-[3-(pyridin-3-yloxymethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]methanone is sourced from PubChem (CID 97405922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).