[(1R,5S)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]-[2-(quinolin-6-yloxymethyl)-1,3-oxazol-4-yl]methanone

C21H21N3O4 — CID 56722755

IUPAC[(1R,5S)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]-[2-(quinolin-6-yloxymethyl)-1,3-oxazol-4-yl]methanone
SMILESO=C(c1coc(COc2ccc3ncccc3c2)n1)N1[C@@H]2CC[C@H]1CC(O)C2
InChIInChI=1S/C21H21N3O4/c25-16-9-14-3-4-15(10-16)24(14)21(26)19-11-28-20(23-19)12-27-17-5-6-18-13(8-17)2-1-7-22-18/h1-2,5-8,11,14-16,25H,3-4,9-10,12H2/t14-,15+,16?
InChIKeyBBJORACCOCYTOO-XYPWUTKMSA-N
MW379.42 g/mol
LogP2.93
Rot. Bonds4

About [(1R,5S)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]-[2-(quinolin-6-yloxymethyl)-1,3-oxazol-4-yl]methanone

[(1R,5S)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]-[2-(quinolin-6-yloxymethyl)-1,3-oxazol-4-yl]methanone (PubChem CID 56722755) has the molecular formula C21H21N3O4 and a molecular weight of 379.42 g/mol. Its IUPAC name is [(1R,5S)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]-[2-(quinolin-6-yloxymethyl)-1,3-oxazol-4-yl]methanone.

Molecular Properties

Compound Name[(1R,5S)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]-[2-(quinolin-6-yloxymethyl)-1,3-oxazol-4-yl]methanone
PubChem CID56722755
Molecular FormulaC21H21N3O4
Molecular Weight379.42 g/mol
Exact Mass379.15
IUPAC Name[(1R,5S)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]-[2-(quinolin-6-yloxymethyl)-1,3-oxazol-4-yl]methanone
SMILESO=C(c1coc(COc2ccc3ncccc3c2)n1)N1[C@@H]2CC[C@H]1CC(O)C2
InChIInChI=1S/C21H21N3O4/c25-16-9-14-3-4-15(10-16)24(14)21(26)19-11-28-20(23-19)12-27-17-5-6-18-13(8-17)2-1-7-22-18/h1-2,5-8,11,14-16,25H,3-4,9-10,12H2/t14-,15+,16?
InChIKeyBBJORACCOCYTOO-XYPWUTKMSA-N
XLogP2.93
TPSA88.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.42
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [(1R,5S)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]-[2-(quinolin-6-yloxymethyl)-1,3-oxazol-4-yl]methanone with MolForge

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Launch Full Analysis

Related Compounds

azocan-1-yl-[2-(quinolin-6-yloxymethyl)-1,3-oxazol-4-yl]methanone
CID 25282286
[(1S,5R)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]-[2-[[3-(trifluoromethyl)phenoxy]methyl]-1,3-oxazol-4-yl]methanone
CID 56722009
[2-(quinolin-6-yloxymethyl)-1,3-oxazol-4-yl]-thiomorpholin-4-ylmethanone
CID 42197710
(2-phenylazetidin-1-yl)-[2-(quinolin-6-yloxymethyl)-1,3-oxazol-4-yl]methanone
CID 56714015
N-(1-pyridin-2-ylpropan-2-yl)-2-(quinolin-6-yloxymethyl)-1,3-oxazole-4-carboxamide
CID 45209690
2-(naphthalen-2-yloxymethyl)-1,3-oxazole-4-carboxylic acid
CID 82305472
N-[(3-methoxyphenyl)methyl]-N-methyl-2-(quinolin-6-yloxymethyl)-1,3-oxazole-4-carboxamide
CID 42291343
N-[(1R)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]-2-(quinolin-6-yloxymethyl)-1,3-oxazole-4-carboxamide
CID 42518962
[(1S,4S)-2-azabicyclo[2.2.1]heptan-2-yl]-[2-[(2-methyl-1,3-benzothiazol-5-yl)oxymethyl]-1,3-oxazol-4-yl]methanone
CID 45240305
[3-(2-methylpropyl)pyrrolidin-1-yl]-[5-(quinolin-6-yloxymethyl)-1,2-oxazol-3-yl]methanone
CID 56757571
[2-(phenoxymethyl)-1,3-oxazol-4-yl]-[4-(pyridin-2-ylamino)piperidin-1-yl]methanone
CID 56710779
[(3R)-3-hydroxypyrrolidin-1-yl]-[2-[[6-(trifluoromethoxy)-3-pyridinyl]oxymethyl]-1,3-oxazol-4-yl]methanone
CID 176989676

Frequently Asked Questions

What is the IUPAC name of [(1R,5S)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]-[2-(quinolin-6-yloxymethyl)-1,3-oxazol-4-yl]methanone?
The IUPAC name of [(1R,5S)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]-[2-(quinolin-6-yloxymethyl)-1,3-oxazol-4-yl]methanone (CID 56722755) is [(1R,5S)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]-[2-(quinolin-6-yloxymethyl)-1,3-oxazol-4-yl]methanone.
What is the SMILES notation for [(1R,5S)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]-[2-(quinolin-6-yloxymethyl)-1,3-oxazol-4-yl]methanone?
The canonical SMILES for [(1R,5S)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]-[2-(quinolin-6-yloxymethyl)-1,3-oxazol-4-yl]methanone is O=C(c1coc(COc2ccc3ncccc3c2)n1)N1[C@@H]2CC[C@H]1CC(O)C2.
What is the InChIKey of [(1R,5S)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]-[2-(quinolin-6-yloxymethyl)-1,3-oxazol-4-yl]methanone?
The InChIKey is BBJORACCOCYTOO-XYPWUTKMSA-N. The full InChI is InChI=1S/C21H21N3O4/c25-16-9-14-3-4-15(10-16)24(14)21(26)19-11-28-20(23-19)12-27-17-5-6-18-13(8-17)2-1-7-22-18/h1-2,5-8,11,14-16,25H,3-4,9-10,12H2/t14-,15+,16?.
What are the key properties of [(1R,5S)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]-[2-(quinolin-6-yloxymethyl)-1,3-oxazol-4-yl]methanone?
[(1R,5S)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]-[2-(quinolin-6-yloxymethyl)-1,3-oxazol-4-yl]methanone has a molecular weight of 379.42 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,5S)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]-[2-(quinolin-6-yloxymethyl)-1,3-oxazol-4-yl]methanone is sourced from PubChem (CID 56722755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).