1-[3-(furan-2-yl)spiro[5,8-dihydroimidazo[2,1-c][1,4]oxazine-6,4'-piperidine]-1'-yl]-2-phenylethanone

C22H23N3O3 — CID 131680955

IUPAC1-[3-(furan-2-yl)spiro[5,8-dihydroimidazo[2,1-c][1,4]oxazine-6,4'-piperidine]-1'-yl]-2-phenylethanone
SMILESO=C(Cc1ccccc1)N1CCC2(CC1)Cn1c(-c3ccco3)cnc1CO2
InChIInChI=1S/C22H23N3O3/c26-21(13-17-5-2-1-3-6-17)24-10-8-22(9-11-24)16-25-18(19-7-4-12-27-19)14-23-20(25)15-28-22/h1-7,12,14H,8-11,13,15-16H2
InChIKeyQUQBHBAKYMREHM-UHFFFAOYSA-N
MW377.44 g/mol
LogP3.28
Rot. Bonds3

About 1-[3-(furan-2-yl)spiro[5,8-dihydroimidazo[2,1-c][1,4]oxazine-6,4'-piperidine]-1'-yl]-2-phenylethanone

1-[3-(furan-2-yl)spiro[5,8-dihydroimidazo[2,1-c][1,4]oxazine-6,4'-piperidine]-1'-yl]-2-phenylethanone (PubChem CID 131680955) has the molecular formula C22H23N3O3 and a molecular weight of 377.44 g/mol. Its IUPAC name is 1-[3-(furan-2-yl)spiro[5,8-dihydroimidazo[2,1-c][1,4]oxazine-6,4'-piperidine]-1'-yl]-2-phenylethanone.

Molecular Properties

Compound Name1-[3-(furan-2-yl)spiro[5,8-dihydroimidazo[2,1-c][1,4]oxazine-6,4'-piperidine]-1'-yl]-2-phenylethanone
PubChem CID131680955
Molecular FormulaC22H23N3O3
Molecular Weight377.44 g/mol
Exact Mass377.17
IUPAC Name1-[3-(furan-2-yl)spiro[5,8-dihydroimidazo[2,1-c][1,4]oxazine-6,4'-piperidine]-1'-yl]-2-phenylethanone
SMILESO=C(Cc1ccccc1)N1CCC2(CC1)Cn1c(-c3ccco3)cnc1CO2
InChIInChI=1S/C22H23N3O3/c26-21(13-17-5-2-1-3-6-17)24-10-8-22(9-11-24)16-25-18(19-7-4-12-27-19)14-23-20(25)15-28-22/h1-7,12,14H,8-11,13,15-16H2
InChIKeyQUQBHBAKYMREHM-UHFFFAOYSA-N
XLogP3.28
TPSA60.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3-(furan-2-yl)-7-methylspiro[6,8-dihydro-[1,2,4]triazolo[4,3-a]pyrazine-5,4'-piperidine]-1'-yl]-2-phenylethanone;2,2,2-trifluoroacetic acid
CID 155844213
9-[2-(4-chlorophenyl)acetyl]-4-phenyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 155986070
4-methyl-9-[2-(2-phenylmethoxyphenyl)acetyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 138381768
4-phenyl-9-(3-phenylpropanoyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 155986038
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-fluorophenyl)spiro[5,8-dihydroimidazo[2,1-c][1,4]oxazine-6,3'-pyrrolidine]-1'-yl]-(2-methylfuran-3-yl)methanone
CID 131672565
1'-[(2-fluorophenyl)methyl]-3-(4-methylphenyl)spiro[5,8-dihydroimidazo[2,1-c][1,4]oxazine-6,3'-pyrrolidine];2,2,2-trifluoroacetic acid
CID 155856266
(1-methylpyrazol-3-yl)-(3-thiophen-2-ylspiro[5,8-dihydroimidazo[2,1-c][1,4]oxazine-6,3'-pyrrolidine]-1'-yl)methanone
CID 131672643
cyclopropyl-(3-thiophen-3-ylspiro[5,8-dihydroimidazo[2,1-c][1,4]oxazine-6,3'-pyrrolidine]-1'-yl)methanone
CID 131670043
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
1-(azetidin-1-yl)-2-phenylethanone
CID 18670940

Frequently Asked Questions

What is the IUPAC name of 1-[3-(furan-2-yl)spiro[5,8-dihydroimidazo[2,1-c][1,4]oxazine-6,4'-piperidine]-1'-yl]-2-phenylethanone?
The IUPAC name of 1-[3-(furan-2-yl)spiro[5,8-dihydroimidazo[2,1-c][1,4]oxazine-6,4'-piperidine]-1'-yl]-2-phenylethanone (CID 131680955) is 1-[3-(furan-2-yl)spiro[5,8-dihydroimidazo[2,1-c][1,4]oxazine-6,4'-piperidine]-1'-yl]-2-phenylethanone.
What is the SMILES notation for 1-[3-(furan-2-yl)spiro[5,8-dihydroimidazo[2,1-c][1,4]oxazine-6,4'-piperidine]-1'-yl]-2-phenylethanone?
The canonical SMILES for 1-[3-(furan-2-yl)spiro[5,8-dihydroimidazo[2,1-c][1,4]oxazine-6,4'-piperidine]-1'-yl]-2-phenylethanone is O=C(Cc1ccccc1)N1CCC2(CC1)Cn1c(-c3ccco3)cnc1CO2.
What is the InChIKey of 1-[3-(furan-2-yl)spiro[5,8-dihydroimidazo[2,1-c][1,4]oxazine-6,4'-piperidine]-1'-yl]-2-phenylethanone?
The InChIKey is QUQBHBAKYMREHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O3/c26-21(13-17-5-2-1-3-6-17)24-10-8-22(9-11-24)16-25-18(19-7-4-12-27-19)14-23-20(25)15-28-22/h1-7,12,14H,8-11,13,15-16H2.
What are the key properties of 1-[3-(furan-2-yl)spiro[5,8-dihydroimidazo[2,1-c][1,4]oxazine-6,4'-piperidine]-1'-yl]-2-phenylethanone?
1-[3-(furan-2-yl)spiro[5,8-dihydroimidazo[2,1-c][1,4]oxazine-6,4'-piperidine]-1'-yl]-2-phenylethanone has a molecular weight of 377.44 g/mol, XLogP of 3.28, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(furan-2-yl)spiro[5,8-dihydroimidazo[2,1-c][1,4]oxazine-6,4'-piperidine]-1'-yl]-2-phenylethanone is sourced from PubChem (CID 131680955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).