(6S)-1'-benzyl-N-(3-chlorophenyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide

C24H25ClN4O2 — CID 97440199

IUPAC(6S)-1'-benzyl-N-(3-chlorophenyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide
SMILESO=C(Nc1cccc(Cl)c1)[C@@H]1Cn2ccnc2C2(CCN(Cc3ccccc3)CC2)O1
InChIInChI=1S/C24H25ClN4O2/c25-19-7-4-8-20(15-19)27-22(30)21-17-29-14-11-26-23(29)24(31-21)9-12-28(13-10-24)16-18-5-2-1-3-6-18/h1-8,11,14-15,21H,9-10,12-13,16-17H2,(H,27,30)/t21-/m0/s1
InChIKeyZXESILFMCGKHKG-NRFANRHFSA-N
MW436.94 g/mol
LogP4.07
Rot. Bonds4

About (6S)-1'-benzyl-N-(3-chlorophenyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide

(6S)-1'-benzyl-N-(3-chlorophenyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide (PubChem CID 97440199) has the molecular formula C24H25ClN4O2 and a molecular weight of 436.94 g/mol. Its IUPAC name is (6S)-1'-benzyl-N-(3-chlorophenyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide.

Molecular Properties

Compound Name(6S)-1'-benzyl-N-(3-chlorophenyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide
PubChem CID97440199
Molecular FormulaC24H25ClN4O2
Molecular Weight436.94 g/mol
Exact Mass436.17
IUPAC Name(6S)-1'-benzyl-N-(3-chlorophenyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide
SMILESO=C(Nc1cccc(Cl)c1)[C@@H]1Cn2ccnc2C2(CCN(Cc3ccccc3)CC2)O1
InChIInChI=1S/C24H25ClN4O2/c25-19-7-4-8-20(15-19)27-22(30)21-17-29-14-11-26-23(29)24(31-21)9-12-28(13-10-24)16-18-5-2-1-3-6-18/h1-8,11,14-15,21H,9-10,12-13,16-17H2,(H,27,30)/t21-/m0/s1
InChIKeyZXESILFMCGKHKG-NRFANRHFSA-N
XLogP4.07
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.94
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(6S)-N-(3-chlorophenyl)-1'-(cyclobutanecarbonyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide
CID 97440204
1-N'-(3-chlorophenyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-1',6-dicarboxamide
CID 134076612
1'-(3-methylbutyl)-N-phenylspiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide;2,2,2-trifluoroacetic acid
CID 155843456
1'-benzyl-N-(pyridin-2-ylmethyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide;2,2,2-trifluoroacetic acid
CID 155827441
N-[2-(dimethylamino)ethyl]-1'-[(3-fluorophenyl)methyl]spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide
CID 131638824
1'-[(4-fluorophenyl)methyl]-N-methylspiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide;bis(2,2,2-trifluoroacetic acid)
CID 155838211
(6R)-N-(4-chlorophenyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide
CID 97440177
1'-[(3-cyanophenyl)methyl]-N-(pyridin-3-ylmethyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide
CID 131638793
1'-[(4-methoxyphenyl)methyl]-N-(pyridin-4-ylmethyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide
CID 134077220
morpholin-4-yl-[1'-(pyridin-4-ylmethyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-yl]methanone
CID 131656590
morpholin-4-yl-[1'-(pyridin-3-ylmethyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-yl]methanone
CID 134074327
[1'-[(4-chloro-3-fluorophenyl)methyl]spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-yl]-pyrrolidin-1-ylmethanone
CID 131650965

Frequently Asked Questions

What is the IUPAC name of (6S)-1'-benzyl-N-(3-chlorophenyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide?
The IUPAC name of (6S)-1'-benzyl-N-(3-chlorophenyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide (CID 97440199) is (6S)-1'-benzyl-N-(3-chlorophenyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide.
What is the SMILES notation for (6S)-1'-benzyl-N-(3-chlorophenyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide?
The canonical SMILES for (6S)-1'-benzyl-N-(3-chlorophenyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide is O=C(Nc1cccc(Cl)c1)[C@@H]1Cn2ccnc2C2(CCN(Cc3ccccc3)CC2)O1.
What is the InChIKey of (6S)-1'-benzyl-N-(3-chlorophenyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide?
The InChIKey is ZXESILFMCGKHKG-NRFANRHFSA-N. The full InChI is InChI=1S/C24H25ClN4O2/c25-19-7-4-8-20(15-19)27-22(30)21-17-29-14-11-26-23(29)24(31-21)9-12-28(13-10-24)16-18-5-2-1-3-6-18/h1-8,11,14-15,21H,9-10,12-13,16-17H2,(H,27,30)/t21-/m0/s1.
What are the key properties of (6S)-1'-benzyl-N-(3-chlorophenyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide?
(6S)-1'-benzyl-N-(3-chlorophenyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide has a molecular weight of 436.94 g/mol, XLogP of 4.07, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-1'-benzyl-N-(3-chlorophenyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide is sourced from PubChem (CID 97440199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).