1,2-oxazol-5-yl-(1'-pyrazin-2-ylspiro[1,3-dihydroisoquinoline-4,4'-piperidine]-2-yl)methanone

C21H21N5O2 — CID 97400771

IUPAC1,2-oxazol-5-yl-(1'-pyrazin-2-ylspiro[1,3-dihydroisoquinoline-4,4'-piperidine]-2-yl)methanone
SMILESO=C(c1ccno1)N1Cc2ccccc2C2(CCN(c3cnccn3)CC2)C1
InChIInChI=1S/C21H21N5O2/c27-20(18-5-8-24-28-18)26-14-16-3-1-2-4-17(16)21(15-26)6-11-25(12-7-21)19-13-22-9-10-23-19/h1-5,8-10,13H,6-7,11-12,14-15H2
InChIKeyOMZFQNAQZRAZKK-UHFFFAOYSA-N
MW375.43 g/mol
LogP2.66
Rot. Bonds2

About 1,2-oxazol-5-yl-(1'-pyrazin-2-ylspiro[1,3-dihydroisoquinoline-4,4'-piperidine]-2-yl)methanone

1,2-oxazol-5-yl-(1'-pyrazin-2-ylspiro[1,3-dihydroisoquinoline-4,4'-piperidine]-2-yl)methanone (PubChem CID 97400771) has the molecular formula C21H21N5O2 and a molecular weight of 375.43 g/mol. Its IUPAC name is 1,2-oxazol-5-yl-(1'-pyrazin-2-ylspiro[1,3-dihydroisoquinoline-4,4'-piperidine]-2-yl)methanone.

Molecular Properties

Compound Name1,2-oxazol-5-yl-(1'-pyrazin-2-ylspiro[1,3-dihydroisoquinoline-4,4'-piperidine]-2-yl)methanone
PubChem CID97400771
Molecular FormulaC21H21N5O2
Molecular Weight375.43 g/mol
Exact Mass375.17
IUPAC Name1,2-oxazol-5-yl-(1'-pyrazin-2-ylspiro[1,3-dihydroisoquinoline-4,4'-piperidine]-2-yl)methanone
SMILESO=C(c1ccno1)N1Cc2ccccc2C2(CCN(c3cnccn3)CC2)C1
InChIInChI=1S/C21H21N5O2/c27-20(18-5-8-24-28-18)26-14-16-3-1-2-4-17(16)21(15-26)6-11-25(12-7-21)19-13-22-9-10-23-19/h1-5,8-10,13H,6-7,11-12,14-15H2
InChIKeyOMZFQNAQZRAZKK-UHFFFAOYSA-N
XLogP2.66
TPSA75.36 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(spiro[1,3-dihydroisoquinoline-4,1'-cyclopropane]-2-carbonyl)pyridine-4-carboxylic acid
CID 122056342
(2-aminospiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)-(1,2-oxazol-5-yl)methanone
CID 163310590
(10,10-difluoro-2-phenyl-2,7-diazaspiro[4.5]decan-7-yl)-(1,2-oxazol-5-yl)methanone
CID 134077534
N,N-dimethyl-1'-(1-pyrazin-2-ylpiperidin-4-yl)spiro[2H-indole-3,4'-piperidine]-1-carboxamide
CID 23651713
1'-pyrazin-2-yl-1-(pyridin-3-ylmethoxy)spiro[1,2-dihydroindene-3,4'-piperidine];2,2,2-trifluoroacetic acid
CID 155854828
pyrazin-2-yl-(8-pyridin-2-yl-2,8-diazaspiro[4.5]decan-2-yl)methanone;2,2,2-trifluoroacetic acid
CID 155827065
(4S)-4-(1'-methylspiro[1,3-dihydroisoquinoline-4,4'-piperidine]-2-carbonyl)azetidin-2-one
CID 166417503
1'-(1,2-oxazole-5-carbonyl)-1-pyrimidin-5-ylspiro[indole-3,4'-piperidine]-2-one
CID 97400124
(7-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)-(1,2-oxazol-5-yl)methanone
CID 61328701
(4-pyrazin-2-ylpiperazin-1-yl)-[2-(trifluoromethyl)phenyl]methanone
CID 13298543
(4-pyrazin-2-ylpiperazin-1-yl)-[2-(trifluoromethyl)-3-pyridinyl]methanone
CID 146124118
1-(cyclopropylmethyl)-1'-(1,2-oxazole-5-carbonyl)spiro[3H-quinoline-4,4'-piperidine]-2-one
CID 97401389

Frequently Asked Questions

What is the IUPAC name of 1,2-oxazol-5-yl-(1'-pyrazin-2-ylspiro[1,3-dihydroisoquinoline-4,4'-piperidine]-2-yl)methanone?
The IUPAC name of 1,2-oxazol-5-yl-(1'-pyrazin-2-ylspiro[1,3-dihydroisoquinoline-4,4'-piperidine]-2-yl)methanone (CID 97400771) is 1,2-oxazol-5-yl-(1'-pyrazin-2-ylspiro[1,3-dihydroisoquinoline-4,4'-piperidine]-2-yl)methanone.
What is the SMILES notation for 1,2-oxazol-5-yl-(1'-pyrazin-2-ylspiro[1,3-dihydroisoquinoline-4,4'-piperidine]-2-yl)methanone?
The canonical SMILES for 1,2-oxazol-5-yl-(1'-pyrazin-2-ylspiro[1,3-dihydroisoquinoline-4,4'-piperidine]-2-yl)methanone is O=C(c1ccno1)N1Cc2ccccc2C2(CCN(c3cnccn3)CC2)C1.
What is the InChIKey of 1,2-oxazol-5-yl-(1'-pyrazin-2-ylspiro[1,3-dihydroisoquinoline-4,4'-piperidine]-2-yl)methanone?
The InChIKey is OMZFQNAQZRAZKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O2/c27-20(18-5-8-24-28-18)26-14-16-3-1-2-4-17(16)21(15-26)6-11-25(12-7-21)19-13-22-9-10-23-19/h1-5,8-10,13H,6-7,11-12,14-15H2.
What are the key properties of 1,2-oxazol-5-yl-(1'-pyrazin-2-ylspiro[1,3-dihydroisoquinoline-4,4'-piperidine]-2-yl)methanone?
1,2-oxazol-5-yl-(1'-pyrazin-2-ylspiro[1,3-dihydroisoquinoline-4,4'-piperidine]-2-yl)methanone has a molecular weight of 375.43 g/mol, XLogP of 2.66, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-oxazol-5-yl-(1'-pyrazin-2-ylspiro[1,3-dihydroisoquinoline-4,4'-piperidine]-2-yl)methanone is sourced from PubChem (CID 97400771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).