1'-(pyridin-2-ylmethyl)-3-thiophen-3-ylspiro[5,8-dihydroimidazo[2,1-c][1,4]oxazine-6,3'-pyrrolidine]

C19H20N4OS — CID 131670036

About 1'-(pyridin-2-ylmethyl)-3-thiophen-3-ylspiro[5,8-dihydroimidazo[2,1-c][1,4]oxazine-6,3'-pyrrolidine]

1'-(pyridin-2-ylmethyl)-3-thiophen-3-ylspiro[5,8-dihydroimidazo[2,1-c][1,4]oxazine-6,3'-pyrrolidine] (PubChem CID 131670036) has the molecular formula C19H20N4OS and a molecular weight of 352.46 g/mol. Its IUPAC name is 1'-(pyridin-2-ylmethyl)-3-thiophen-3-ylspiro[5,8-dihydroimidazo[2,1-c][1,4]oxazine-6,3'-pyrrolidine].

Molecular Properties

• Compound Name: 1'-(pyridin-2-ylmethyl)-3-thiophen-3-ylspiro[5,8-dihydroimidazo[2,1-c][1,4]oxazine-6,3'-pyrrolidine]
• PubChem CID: 131670036
• Molecular Formula: C19H20N4OS
• Molecular Weight: 352.46 g/mol
• Exact Mass: 352.14
• IUPAC Name: 1'-(pyridin-2-ylmethyl)-3-thiophen-3-ylspiro[5,8-dihydroimidazo[2,1-c][1,4]oxazine-6,3'-pyrrolidine]
• SMILES: c1ccc(CN2CCC3(C2)Cn2c(-c4ccsc4)cnc2CO3)nc1
• InChI: InChI=1S/C19H20N4OS/c1-2-6-20-16(3-1)10-22-7-5-19(13-22)14-23-17(15-4-8-25-12-15)9-21-18(23)11-24-19/h1-4,6,8-9,12H,5,7,10-11,13-14H2
• InChIKey: QVCKFRSDXLSZQR-UHFFFAOYSA-N
• XLogP: 3.18
• TPSA: 43.18 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	352.46
LogP ≤ 5	3.18
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1'-(pyridin-2-ylmethyl)-3-thiophen-3-ylspiro[5,8-dihydroimidazo[2,1-c][1,4]oxazine-6,3'-pyrrolidine]?

The IUPAC name of 1'-(pyridin-2-ylmethyl)-3-thiophen-3-ylspiro[5,8-dihydroimidazo[2,1-c][1,4]oxazine-6,3'-pyrrolidine] (CID 131670036) is 1'-(pyridin-2-ylmethyl)-3-thiophen-3-ylspiro[5,8-dihydroimidazo[2,1-c][1,4]oxazine-6,3'-pyrrolidine].

What is the SMILES notation for 1'-(pyridin-2-ylmethyl)-3-thiophen-3-ylspiro[5,8-dihydroimidazo[2,1-c][1,4]oxazine-6,3'-pyrrolidine]?

The canonical SMILES for 1'-(pyridin-2-ylmethyl)-3-thiophen-3-ylspiro[5,8-dihydroimidazo[2,1-c][1,4]oxazine-6,3'-pyrrolidine] is c1ccc(CN2CCC3(C2)Cn2c(-c4ccsc4)cnc2CO3)nc1.

What is the InChIKey of 1'-(pyridin-2-ylmethyl)-3-thiophen-3-ylspiro[5,8-dihydroimidazo[2,1-c][1,4]oxazine-6,3'-pyrrolidine]?

The InChIKey is QVCKFRSDXLSZQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4OS/c1-2-6-20-16(3-1)10-22-7-5-19(13-22)14-23-17(15-4-8-25-12-15)9-21-18(23)11-24-19/h1-4,6,8-9,12H,5,7,10-11,13-14H2.

What are the key properties of 1'-(pyridin-2-ylmethyl)-3-thiophen-3-ylspiro[5,8-dihydroimidazo[2,1-c][1,4]oxazine-6,3'-pyrrolidine]?

1'-(pyridin-2-ylmethyl)-3-thiophen-3-ylspiro[5,8-dihydroimidazo[2,1-c][1,4]oxazine-6,3'-pyrrolidine] has a molecular weight of 352.46 g/mol, XLogP of 3.18, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1'-(pyridin-2-ylmethyl)-3-thiophen-3-ylspiro[5,8-dihydroimidazo[2,1-c][1,4]oxazine-6,3'-pyrrolidine] is sourced from PubChem (CID 131670036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).