[3-(3-fluorophenyl)spiro[5,8-dihydroimidazo[2,1-c][1,4]oxazine-6,3'-pyrrolidine]-1'-yl]-(2-methylfuran-3-yl)methanone

C21H20FN3O3 — CID 131672565

IUPAC[3-(3-fluorophenyl)spiro[5,8-dihydroimidazo[2,1-c][1,4]oxazine-6,3'-pyrrolidine]-1'-yl]-(2-methylfuran-3-yl)methanone
SMILESCc1occc1C(=O)N1CCC2(C1)Cn1c(-c3cccc(F)c3)cnc1CO2
InChIInChI=1S/C21H20FN3O3/c1-14-17(5-8-27-14)20(26)24-7-6-21(12-24)13-25-18(10-23-19(25)11-28-21)15-3-2-4-16(22)9-15/h2-5,8-10H,6-7,11-13H2,1H3
InChIKeyMIPPPVHVHNDPDP-UHFFFAOYSA-N
MW381.41 g/mol
LogP3.41
Rot. Bonds2

About [3-(3-fluorophenyl)spiro[5,8-dihydroimidazo[2,1-c][1,4]oxazine-6,3'-pyrrolidine]-1'-yl]-(2-methylfuran-3-yl)methanone

[3-(3-fluorophenyl)spiro[5,8-dihydroimidazo[2,1-c][1,4]oxazine-6,3'-pyrrolidine]-1'-yl]-(2-methylfuran-3-yl)methanone (PubChem CID 131672565) has the molecular formula C21H20FN3O3 and a molecular weight of 381.41 g/mol. Its IUPAC name is [3-(3-fluorophenyl)spiro[5,8-dihydroimidazo[2,1-c][1,4]oxazine-6,3'-pyrrolidine]-1'-yl]-(2-methylfuran-3-yl)methanone.

Molecular Properties

Compound Name[3-(3-fluorophenyl)spiro[5,8-dihydroimidazo[2,1-c][1,4]oxazine-6,3'-pyrrolidine]-1'-yl]-(2-methylfuran-3-yl)methanone
PubChem CID131672565
Molecular FormulaC21H20FN3O3
Molecular Weight381.41 g/mol
Exact Mass381.15
IUPAC Name[3-(3-fluorophenyl)spiro[5,8-dihydroimidazo[2,1-c][1,4]oxazine-6,3'-pyrrolidine]-1'-yl]-(2-methylfuran-3-yl)methanone
SMILESCc1occc1C(=O)N1CCC2(C1)Cn1c(-c3cccc(F)c3)cnc1CO2
InChIInChI=1S/C21H20FN3O3/c1-14-17(5-8-27-14)20(26)24-7-6-21(12-24)13-25-18(10-23-19(25)11-28-21)15-3-2-4-16(22)9-15/h2-5,8-10H,6-7,11-13H2,1H3
InChIKeyMIPPPVHVHNDPDP-UHFFFAOYSA-N
XLogP3.41
TPSA60.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.41
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [3-(3-fluorophenyl)spiro[5,8-dihydroimidazo[2,1-c][1,4]oxazine-6,3'-pyrrolidine]-1'-yl]-(2-methylfuran-3-yl)methanone with MolForge

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Related Compounds

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-fluorophenyl)-1'-(thiophen-3-ylmethyl)spiro[5,8-dihydroimidazo[2,1-c][1,4]oxazine-6,3'-pyrrolidine];2,2,2-trifluoroacetic acid
CID 155843378
(3-fluorophenyl)-[4-(2-methylfuran-3-carbonyl)piperazin-1-yl]methanone
CID 32523344
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-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
9-(3-fluorophenyl)-2-(2-methylpyrimidine-5-carbonyl)-6-oxa-2,9-diazaspiro[4.5]decan-8-one
CID 155986120
cyclopropyl-(3-thiophen-3-ylspiro[5,8-dihydroimidazo[2,1-c][1,4]oxazine-6,3'-pyrrolidine]-1'-yl)methanone
CID 131670043
(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
[(3S,5S)-3-[(3-fluoro-2-pyridinyl)amino]-1-oxa-7-azaspiro[4.4]nonan-7-yl]-(2-methylfuran-3-yl)methanone
CID 97486190
(2-methylfuran-3-yl)-[(3S,5S)-3-(pyrimidin-2-ylamino)-1-oxa-7-azaspiro[4.4]nonan-7-yl]methanone
CID 97486309
(2-methylfuran-3-yl)-[(3R,5S)-3-(pyrimidin-2-ylamino)-1-oxa-7-azaspiro[4.4]nonan-7-yl]methanone
CID 97486314
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

Frequently Asked Questions

What is the IUPAC name of [3-(3-fluorophenyl)spiro[5,8-dihydroimidazo[2,1-c][1,4]oxazine-6,3'-pyrrolidine]-1'-yl]-(2-methylfuran-3-yl)methanone?
The IUPAC name of [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) is [3-(3-fluorophenyl)spiro[5,8-dihydroimidazo[2,1-c][1,4]oxazine-6,3'-pyrrolidine]-1'-yl]-(2-methylfuran-3-yl)methanone.
What is the SMILES notation for [3-(3-fluorophenyl)spiro[5,8-dihydroimidazo[2,1-c][1,4]oxazine-6,3'-pyrrolidine]-1'-yl]-(2-methylfuran-3-yl)methanone?
The canonical SMILES for [3-(3-fluorophenyl)spiro[5,8-dihydroimidazo[2,1-c][1,4]oxazine-6,3'-pyrrolidine]-1'-yl]-(2-methylfuran-3-yl)methanone is Cc1occc1C(=O)N1CCC2(C1)Cn1c(-c3cccc(F)c3)cnc1CO2.
What is the InChIKey of [3-(3-fluorophenyl)spiro[5,8-dihydroimidazo[2,1-c][1,4]oxazine-6,3'-pyrrolidine]-1'-yl]-(2-methylfuran-3-yl)methanone?
The InChIKey is MIPPPVHVHNDPDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN3O3/c1-14-17(5-8-27-14)20(26)24-7-6-21(12-24)13-25-18(10-23-19(25)11-28-21)15-3-2-4-16(22)9-15/h2-5,8-10H,6-7,11-13H2,1H3.
What are the key properties of [3-(3-fluorophenyl)spiro[5,8-dihydroimidazo[2,1-c][1,4]oxazine-6,3'-pyrrolidine]-1'-yl]-(2-methylfuran-3-yl)methanone?
[3-(3-fluorophenyl)spiro[5,8-dihydroimidazo[2,1-c][1,4]oxazine-6,3'-pyrrolidine]-1'-yl]-(2-methylfuran-3-yl)methanone has a molecular weight of 381.41 g/mol, XLogP of 3.41, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3-fluorophenyl)spiro[5,8-dihydroimidazo[2,1-c][1,4]oxazine-6,3'-pyrrolidine]-1'-yl]-(2-methylfuran-3-yl)methanone is sourced from PubChem (CID 131672565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).