1-[(1R,5S)-3-methyl-8-azabicyclo[3.2.1]octan-8-yl]-2-[6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]ethanone

C23H25N3O2 — CID 158638377

IUPAC1-[(1R,5S)-3-methyl-8-azabicyclo[3.2.1]octan-8-yl]-2-[6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]ethanone
SMILESCc1ncc(-c2ccc3cnc(CC(=O)N4[C@@H]5CC[C@H]4CC(C)C5)cc3c2)o1
InChIInChI=1S/C23H25N3O2/c1-14-7-20-5-6-21(8-14)26(20)23(27)11-19-10-18-9-16(3-4-17(18)12-25-19)22-13-24-15(2)28-22/h3-4,9-10,12-14,20-21H,5-8,11H2,1-2H3/t14?,20-,21+
InChIKeyAFPXFWBGTGSNRN-QCWXFEJRSA-N
MW375.47 g/mol
LogP4.53
Rot. Bonds3

About 1-[(1R,5S)-3-methyl-8-azabicyclo[3.2.1]octan-8-yl]-2-[6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]ethanone

1-[(1R,5S)-3-methyl-8-azabicyclo[3.2.1]octan-8-yl]-2-[6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]ethanone (PubChem CID 158638377) has the molecular formula C23H25N3O2 and a molecular weight of 375.47 g/mol. Its IUPAC name is 1-[(1R,5S)-3-methyl-8-azabicyclo[3.2.1]octan-8-yl]-2-[6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]ethanone.

Molecular Properties

Compound Name1-[(1R,5S)-3-methyl-8-azabicyclo[3.2.1]octan-8-yl]-2-[6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]ethanone
PubChem CID158638377
Molecular FormulaC23H25N3O2
Molecular Weight375.47 g/mol
Exact Mass375.19
IUPAC Name1-[(1R,5S)-3-methyl-8-azabicyclo[3.2.1]octan-8-yl]-2-[6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]ethanone
SMILESCc1ncc(-c2ccc3cnc(CC(=O)N4[C@@H]5CC[C@H]4CC(C)C5)cc3c2)o1
InChIInChI=1S/C23H25N3O2/c1-14-7-20-5-6-21(8-14)26(20)23(27)11-19-10-18-9-16(3-4-17(18)12-25-19)22-13-24-15(2)28-22/h3-4,9-10,12-14,20-21H,5-8,11H2,1-2H3/t14?,20-,21+
InChIKeyAFPXFWBGTGSNRN-QCWXFEJRSA-N
XLogP4.53
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[(1R,5S)-3-methyl-8-azabicyclo[3.2.1]octan-8-yl]-2-[6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]ethanone with MolForge

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Related Compounds

1-[(1R,5S)-3-(3-fluorobutyl)-8-azabicyclo[3.2.1]octan-8-yl]-2-[6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]ethanone
CID 158638381
1-[(1R,5S)-3-amino-8-azabicyclo[3.2.1]octan-8-yl]-2-[3-(2-methyl-1,3-oxazol-5-yl)-1,7-naphthyridin-6-yl]ethanone
CID 158047318
1-[(1R,5S)-3-(3-fluoropropyl)-8-azabicyclo[3.2.1]octan-8-yl]-2-[6-(2-methyl-1,3-oxazol-5-yl)cinnolin-3-yl]ethanone
CID 159695966
1-[(1R,5S)-3-(3-fluoropropyl)-8-azabicyclo[3.2.1]octan-8-yl]-2-[3-(2-methyl-1,3-oxazol-5-yl)-1,7-naphthyridin-6-yl]ethanone
CID 159600305
(1R,5S)-3-(2,2-difluoroethylamino)-N-[6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]-8-azabicyclo[3.2.1]octane-8-carboxamide
CID 138580317
tert-butyl N-methyl-N-[4-[2-[6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]acetyl]cyclohexyl]carbamate
CID 160831567
4-amino-N-[6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]cyclohexane-1-carboxamide
CID 138559188
1-[(3S,4S)-4-amino-3-fluoropiperidin-1-yl]-2-[6-(2-methyl-1,3-oxazol-5-yl)-2,7-naphthyridin-3-yl]ethanone
CID 148771376
N-[6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]-4-morpholin-4-ylpiperidine-1-carboxamide
CID 138559178
1-(7-azabicyclo[2.2.1]heptan-7-yl)-3-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]propan-2-one
CID 153087123
2-[6-(2-methyl-1,3-oxazol-5-yl)-2,7-naphthyridin-3-yl]-1-(4-morpholin-4-ylcyclohexyl)ethanone
CID 147235272
1-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-3-[(2S)-2-methylpyrrolidin-1-yl]propan-2-one
CID 157299031

Frequently Asked Questions

What is the IUPAC name of 1-[(1R,5S)-3-methyl-8-azabicyclo[3.2.1]octan-8-yl]-2-[6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]ethanone?
The IUPAC name of 1-[(1R,5S)-3-methyl-8-azabicyclo[3.2.1]octan-8-yl]-2-[6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]ethanone (CID 158638377) is 1-[(1R,5S)-3-methyl-8-azabicyclo[3.2.1]octan-8-yl]-2-[6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]ethanone.
What is the SMILES notation for 1-[(1R,5S)-3-methyl-8-azabicyclo[3.2.1]octan-8-yl]-2-[6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]ethanone?
The canonical SMILES for 1-[(1R,5S)-3-methyl-8-azabicyclo[3.2.1]octan-8-yl]-2-[6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]ethanone is Cc1ncc(-c2ccc3cnc(CC(=O)N4[C@@H]5CC[C@H]4CC(C)C5)cc3c2)o1.
What is the InChIKey of 1-[(1R,5S)-3-methyl-8-azabicyclo[3.2.1]octan-8-yl]-2-[6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]ethanone?
The InChIKey is AFPXFWBGTGSNRN-QCWXFEJRSA-N. The full InChI is InChI=1S/C23H25N3O2/c1-14-7-20-5-6-21(8-14)26(20)23(27)11-19-10-18-9-16(3-4-17(18)12-25-19)22-13-24-15(2)28-22/h3-4,9-10,12-14,20-21H,5-8,11H2,1-2H3/t14?,20-,21+.
What are the key properties of 1-[(1R,5S)-3-methyl-8-azabicyclo[3.2.1]octan-8-yl]-2-[6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]ethanone?
1-[(1R,5S)-3-methyl-8-azabicyclo[3.2.1]octan-8-yl]-2-[6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]ethanone has a molecular weight of 375.47 g/mol, XLogP of 4.53, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R,5S)-3-methyl-8-azabicyclo[3.2.1]octan-8-yl]-2-[6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]ethanone is sourced from PubChem (CID 158638377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).