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

C22H24N4O2 — CID 131670047

IUPAC3-(3-methoxyphenyl)-1'-(pyridin-2-ylmethyl)spiro[5,8-dihydroimidazo[2,1-c][1,4]oxazine-6,3'-pyrrolidine]
SMILESCOc1cccc(-c2cnc3n2CC2(CCN(Cc4ccccn4)C2)OC3)c1
InChIInChI=1S/C22H24N4O2/c1-27-19-7-4-5-17(11-19)20-12-24-21-14-28-22(16-26(20)21)8-10-25(15-22)13-18-6-2-3-9-23-18/h2-7,9,11-12H,8,10,13-16H2,1H3
InChIKeyYKCGQUQMVGZMBW-UHFFFAOYSA-N
MW376.46 g/mol
LogP3.13
Rot. Bonds4

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

3-(3-methoxyphenyl)-1'-(pyridin-2-ylmethyl)spiro[5,8-dihydroimidazo[2,1-c][1,4]oxazine-6,3'-pyrrolidine] (PubChem CID 131670047) has the molecular formula C22H24N4O2 and a molecular weight of 376.46 g/mol. Its IUPAC name is 3-(3-methoxyphenyl)-1'-(pyridin-2-ylmethyl)spiro[5,8-dihydroimidazo[2,1-c][1,4]oxazine-6,3'-pyrrolidine].

Molecular Properties

Compound Name3-(3-methoxyphenyl)-1'-(pyridin-2-ylmethyl)spiro[5,8-dihydroimidazo[2,1-c][1,4]oxazine-6,3'-pyrrolidine]
PubChem CID131670047
Molecular FormulaC22H24N4O2
Molecular Weight376.46 g/mol
Exact Mass376.19
IUPAC Name3-(3-methoxyphenyl)-1'-(pyridin-2-ylmethyl)spiro[5,8-dihydroimidazo[2,1-c][1,4]oxazine-6,3'-pyrrolidine]
SMILESCOc1cccc(-c2cnc3n2CC2(CCN(Cc4ccccn4)C2)OC3)c1
InChIInChI=1S/C22H24N4O2/c1-27-19-7-4-5-17(11-19)20-12-24-21-14-28-22(16-26(20)21)8-10-25(15-22)13-18-6-2-3-9-23-18/h2-7,9,11-12H,8,10,13-16H2,1H3
InChIKeyYKCGQUQMVGZMBW-UHFFFAOYSA-N
XLogP3.13
TPSA52.41 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-(3-methylphenyl)-1'-(pyridin-2-ylmethyl)spiro[5,8-dihydroimidazo[2,1-c][1,4]oxazine-6,3'-pyrrolidine];bis(2,2,2-trifluoroacetic acid)
CID 155852808
1'-(pyridin-2-ylmethyl)-3-thiophen-3-ylspiro[5,8-dihydroimidazo[2,1-c][1,4]oxazine-6,3'-pyrrolidine]
CID 131670036
3-(3-methoxyphenyl)-1'-(pyridin-3-ylmethyl)spiro[5,8-dihydroimidazo[2,1-c][1,4]oxazine-6,3'-pyrrolidine];bis(2,2,2-trifluoroacetic acid)
CID 155843580
3-(3-methoxyphenyl)-1'-[(3-methylphenyl)methyl]spiro[5,8-dihydroimidazo[2,1-c][1,4]oxazine-6,3'-pyrrolidine];2,2,2-trifluoroacetic acid
CID 155830676
3-(3-methoxyphenyl)-1'-(thiophen-2-ylmethyl)spiro[5,8-dihydroimidazo[2,1-c][1,4]oxazine-6,3'-pyrrolidine];2,2,2-trifluoroacetic acid
CID 155836482
3-(4-fluorophenyl)-1'-(pyridin-2-ylmethyl)spiro[5,8-dihydroimidazo[2,1-c][1,4]oxazine-6,3'-pyrrolidine];bis(2,2,2-trifluoroacetic acid)
CID 155831219
3-(4-methoxyphenyl)-1'-(pyridin-3-ylmethyl)spiro[5,8-dihydroimidazo[2,1-c][1,4]oxazine-6,3'-pyrrolidine];bis(2,2,2-trifluoroacetic acid)
CID 155847974
3-(4-methoxyphenyl)-1'-[(2-methoxy-3-pyridinyl)methyl]spiro[5,8-dihydroimidazo[2,1-c][1,4]oxazine-6,3'-pyrrolidine];bis(2,2,2-trifluoroacetic acid)
CID 155850931
8-[(3-methoxyphenyl)methyl]-2-(pyridin-2-ylmethyl)-2,8-diazaspiro[4.5]decane
CID 97449576
3-thiophen-3-yl-1'-(thiophen-3-ylmethyl)spiro[5,8-dihydroimidazo[2,1-c][1,4]oxazine-6,3'-pyrrolidine]
CID 131672594
3-(3-fluorophenyl)-1'-[(1-methylpyrazol-4-yl)methyl]spiro[5,8-dihydroimidazo[2,1-c][1,4]oxazine-6,3'-pyrrolidine];2,2,2-trifluoroacetic acid
CID 155853082
3-(3-methoxyphenyl)-5-[[4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]-1,2,4-oxadiazole
CID 34728562

Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxyphenyl)-1'-(pyridin-2-ylmethyl)spiro[5,8-dihydroimidazo[2,1-c][1,4]oxazine-6,3'-pyrrolidine]?
The IUPAC name of 3-(3-methoxyphenyl)-1'-(pyridin-2-ylmethyl)spiro[5,8-dihydroimidazo[2,1-c][1,4]oxazine-6,3'-pyrrolidine] (CID 131670047) is 3-(3-methoxyphenyl)-1'-(pyridin-2-ylmethyl)spiro[5,8-dihydroimidazo[2,1-c][1,4]oxazine-6,3'-pyrrolidine].
What is the SMILES notation for 3-(3-methoxyphenyl)-1'-(pyridin-2-ylmethyl)spiro[5,8-dihydroimidazo[2,1-c][1,4]oxazine-6,3'-pyrrolidine]?
The canonical SMILES for 3-(3-methoxyphenyl)-1'-(pyridin-2-ylmethyl)spiro[5,8-dihydroimidazo[2,1-c][1,4]oxazine-6,3'-pyrrolidine] is COc1cccc(-c2cnc3n2CC2(CCN(Cc4ccccn4)C2)OC3)c1.
What is the InChIKey of 3-(3-methoxyphenyl)-1'-(pyridin-2-ylmethyl)spiro[5,8-dihydroimidazo[2,1-c][1,4]oxazine-6,3'-pyrrolidine]?
The InChIKey is YKCGQUQMVGZMBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O2/c1-27-19-7-4-5-17(11-19)20-12-24-21-14-28-22(16-26(20)21)8-10-25(15-22)13-18-6-2-3-9-23-18/h2-7,9,11-12H,8,10,13-16H2,1H3.
What are the key properties of 3-(3-methoxyphenyl)-1'-(pyridin-2-ylmethyl)spiro[5,8-dihydroimidazo[2,1-c][1,4]oxazine-6,3'-pyrrolidine]?
3-(3-methoxyphenyl)-1'-(pyridin-2-ylmethyl)spiro[5,8-dihydroimidazo[2,1-c][1,4]oxazine-6,3'-pyrrolidine] has a molecular weight of 376.46 g/mol, XLogP of 3.13, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxyphenyl)-1'-(pyridin-2-ylmethyl)spiro[5,8-dihydroimidazo[2,1-c][1,4]oxazine-6,3'-pyrrolidine] is sourced from PubChem (CID 131670047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).