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

C17H19N3O2S — CID 131670043

IUPACcyclopropyl-(3-thiophen-3-ylspiro[5,8-dihydroimidazo[2,1-c][1,4]oxazine-6,3'-pyrrolidine]-1'-yl)methanone
SMILESO=C(C1CC1)N1CCC2(C1)Cn1c(-c3ccsc3)cnc1CO2
InChIInChI=1S/C17H19N3O2S/c21-16(12-1-2-12)19-5-4-17(10-19)11-20-14(13-3-6-23-9-13)7-18-15(20)8-22-17/h3,6-7,9,12H,1-2,4-5,8,10-11H2
InChIKeyMTMJASARUANBDI-UHFFFAOYSA-N
MW329.42 g/mol
LogP2.52
Rot. Bonds2

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

cyclopropyl-(3-thiophen-3-ylspiro[5,8-dihydroimidazo[2,1-c][1,4]oxazine-6,3'-pyrrolidine]-1'-yl)methanone (PubChem CID 131670043) has the molecular formula C17H19N3O2S and a molecular weight of 329.42 g/mol. Its IUPAC name is cyclopropyl-(3-thiophen-3-ylspiro[5,8-dihydroimidazo[2,1-c][1,4]oxazine-6,3'-pyrrolidine]-1'-yl)methanone.

Molecular Properties

Compound Namecyclopropyl-(3-thiophen-3-ylspiro[5,8-dihydroimidazo[2,1-c][1,4]oxazine-6,3'-pyrrolidine]-1'-yl)methanone
PubChem CID131670043
Molecular FormulaC17H19N3O2S
Molecular Weight329.42 g/mol
Exact Mass329.12
IUPAC Namecyclopropyl-(3-thiophen-3-ylspiro[5,8-dihydroimidazo[2,1-c][1,4]oxazine-6,3'-pyrrolidine]-1'-yl)methanone
SMILESO=C(C1CC1)N1CCC2(C1)Cn1c(-c3ccsc3)cnc1CO2
InChIInChI=1S/C17H19N3O2S/c21-16(12-1-2-12)19-5-4-17(10-19)11-20-14(13-3-6-23-9-13)7-18-15(20)8-22-17/h3,6-7,9,12H,1-2,4-5,8,10-11H2
InChIKeyMTMJASARUANBDI-UHFFFAOYSA-N
XLogP2.52
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.42
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-thiophen-3-yl-1'-(thiophen-3-ylmethyl)spiro[5,8-dihydroimidazo[2,1-c][1,4]oxazine-6,3'-pyrrolidine]
CID 131672594
1'-(pyridin-2-ylmethyl)-3-thiophen-3-ylspiro[5,8-dihydroimidazo[2,1-c][1,4]oxazine-6,3'-pyrrolidine]
CID 131670036
piperidin-1-yl-(3-thiophen-3-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)methanone
CID 91924461
1'-(cyclopropanecarbonyl)-2-(2-methylpropyl)spiro[6,9-dihydro-[1,4]oxazino[3,4-c][1,2,4]triazine-7,3'-pyrrolidine]-3,4-dione
CID 131672685
2-(cyclohexylmethyl)-1'-(cyclopropanecarbonyl)spiro[6,9-dihydro-[1,4]oxazino[3,4-c][1,2,4]triazine-7,3'-pyrrolidine]-3,4-dione
CID 131672715
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
(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
[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-[3-(furan-2-yl)spiro[5,8-dihydroimidazo[2,1-c][1,4]oxazine-6,4'-piperidine]-1'-yl]-2-phenylethanone
CID 131680955
(3R)-1-(cyclopropanecarbonyl)-N,N-dimethyl-3-[(4-thiophen-3-ylphenyl)methyl]pyrrolidine-3-carboxamide
CID 92605129
cyclopropyl-[(3R)-3-(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methanone
CID 129416928
3-(4-fluorophenyl)-1'-[(2-fluorophenyl)methyl]spiro[5,8-dihydroimidazo[2,1-c][1,4]oxazine-6,3'-pyrrolidine];2,2,2-trifluoroacetic acid
CID 155848106

Frequently Asked Questions

What is the IUPAC name of cyclopropyl-(3-thiophen-3-ylspiro[5,8-dihydroimidazo[2,1-c][1,4]oxazine-6,3'-pyrrolidine]-1'-yl)methanone?
The IUPAC name of cyclopropyl-(3-thiophen-3-ylspiro[5,8-dihydroimidazo[2,1-c][1,4]oxazine-6,3'-pyrrolidine]-1'-yl)methanone (CID 131670043) is cyclopropyl-(3-thiophen-3-ylspiro[5,8-dihydroimidazo[2,1-c][1,4]oxazine-6,3'-pyrrolidine]-1'-yl)methanone.
What is the SMILES notation for cyclopropyl-(3-thiophen-3-ylspiro[5,8-dihydroimidazo[2,1-c][1,4]oxazine-6,3'-pyrrolidine]-1'-yl)methanone?
The canonical SMILES for cyclopropyl-(3-thiophen-3-ylspiro[5,8-dihydroimidazo[2,1-c][1,4]oxazine-6,3'-pyrrolidine]-1'-yl)methanone is O=C(C1CC1)N1CCC2(C1)Cn1c(-c3ccsc3)cnc1CO2.
What is the InChIKey of cyclopropyl-(3-thiophen-3-ylspiro[5,8-dihydroimidazo[2,1-c][1,4]oxazine-6,3'-pyrrolidine]-1'-yl)methanone?
The InChIKey is MTMJASARUANBDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2S/c21-16(12-1-2-12)19-5-4-17(10-19)11-20-14(13-3-6-23-9-13)7-18-15(20)8-22-17/h3,6-7,9,12H,1-2,4-5,8,10-11H2.
What are the key properties of cyclopropyl-(3-thiophen-3-ylspiro[5,8-dihydroimidazo[2,1-c][1,4]oxazine-6,3'-pyrrolidine]-1'-yl)methanone?
cyclopropyl-(3-thiophen-3-ylspiro[5,8-dihydroimidazo[2,1-c][1,4]oxazine-6,3'-pyrrolidine]-1'-yl)methanone has a molecular weight of 329.42 g/mol, XLogP of 2.52, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-(3-thiophen-3-ylspiro[5,8-dihydroimidazo[2,1-c][1,4]oxazine-6,3'-pyrrolidine]-1'-yl)methanone is sourced from PubChem (CID 131670043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).