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

C17H19ClN4O2 — CID 121229620

IUPACN-(4-chlorophenyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1)C1Cn2ccnc2C2(CCNCC2)O1
InChIInChI=1S/C17H19ClN4O2/c18-12-1-3-13(4-2-12)21-15(23)14-11-22-10-9-20-16(22)17(24-14)5-7-19-8-6-17/h1-4,9-10,14,19H,5-8,11H2,(H,21,23)
InChIKeyIFROFEATIAIDCH-UHFFFAOYSA-N
MW346.82 g/mol
LogP2.15
Rot. Bonds2

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

N-(4-chlorophenyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide (PubChem CID 121229620) has the molecular formula C17H19ClN4O2 and a molecular weight of 346.82 g/mol. Its IUPAC name is N-(4-chlorophenyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide
PubChem CID121229620
Molecular FormulaC17H19ClN4O2
Molecular Weight346.82 g/mol
Exact Mass346.12
IUPAC NameN-(4-chlorophenyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1)C1Cn2ccnc2C2(CCNCC2)O1
InChIInChI=1S/C17H19ClN4O2/c18-12-1-3-13(4-2-12)21-15(23)14-11-22-10-9-20-16(22)17(24-14)5-7-19-8-6-17/h1-4,9-10,14,19H,5-8,11H2,(H,21,23)
InChIKeyIFROFEATIAIDCH-UHFFFAOYSA-N
XLogP2.15
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.82
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(6R)-N-(4-chlorophenyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide
CID 97440177
(6S)-N-(3-chlorophenyl)-1'-(cyclobutanecarbonyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide
CID 97440204
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-N'-(3-chlorophenyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-1',6-dicarboxamide
CID 134076612
1'-(3-methylbutanoyl)-N-phenylspiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide;2,2,2-trifluoroacetic acid
CID 171705435
N-methyl-1'-methylsulfonylspiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide
CID 131654770
(6R)-N-methyl-1'-(oxane-4-carbonyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide
CID 97385149
N-(2-methylpropyl)-1'-(pyridine-4-carbonyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide
CID 131649874
N-methyl-1'-(oxan-4-ylmethyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide
CID 133141653
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
(2S)-N-(4-pyrazol-1-ylphenyl)-6-azaspiro[2.5]octane-2-carboxamide
CID 124701403
[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 N-(4-chlorophenyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide?
The IUPAC name of N-(4-chlorophenyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide (CID 121229620) is N-(4-chlorophenyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide.
What is the SMILES notation for N-(4-chlorophenyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide?
The canonical SMILES for N-(4-chlorophenyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide is O=C(Nc1ccc(Cl)cc1)C1Cn2ccnc2C2(CCNCC2)O1.
What is the InChIKey of N-(4-chlorophenyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide?
The InChIKey is IFROFEATIAIDCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN4O2/c18-12-1-3-13(4-2-12)21-15(23)14-11-22-10-9-20-16(22)17(24-14)5-7-19-8-6-17/h1-4,9-10,14,19H,5-8,11H2,(H,21,23).
What are the key properties of N-(4-chlorophenyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide?
N-(4-chlorophenyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide has a molecular weight of 346.82 g/mol, XLogP of 2.15, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide is sourced from PubChem (CID 121229620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).