[3-(4-chlorophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-2-yl]-(1,2-oxazolidin-2-yl)methanone

C18H23ClN2O2 — CID 22896741

IUPAC[3-(4-chlorophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-2-yl]-(1,2-oxazolidin-2-yl)methanone
SMILESCN1C2CCC1C(C(=O)N1CCCO1)C(c1ccc(Cl)cc1)C2
InChIInChI=1S/C18H23ClN2O2/c1-20-14-7-8-16(20)17(18(22)21-9-2-10-23-21)15(11-14)12-3-5-13(19)6-4-12/h3-6,14-17H,2,7-11H2,1H3
InChIKeyLQKYSBVJZORRFN-UHFFFAOYSA-N
MW334.85 g/mol
LogP3.07
Rot. Bonds2

About [3-(4-chlorophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-2-yl]-(1,2-oxazolidin-2-yl)methanone

[3-(4-chlorophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-2-yl]-(1,2-oxazolidin-2-yl)methanone (PubChem CID 22896741) has the molecular formula C18H23ClN2O2 and a molecular weight of 334.85 g/mol. Its IUPAC name is [3-(4-chlorophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-2-yl]-(1,2-oxazolidin-2-yl)methanone.

Molecular Properties

Compound Name[3-(4-chlorophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-2-yl]-(1,2-oxazolidin-2-yl)methanone
PubChem CID22896741
Molecular FormulaC18H23ClN2O2
Molecular Weight334.85 g/mol
Exact Mass334.14
IUPAC Name[3-(4-chlorophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-2-yl]-(1,2-oxazolidin-2-yl)methanone
SMILESCN1C2CCC1C(C(=O)N1CCCO1)C(c1ccc(Cl)cc1)C2
InChIInChI=1S/C18H23ClN2O2/c1-20-14-7-8-16(20)17(18(22)21-9-2-10-23-21)15(11-14)12-3-5-13(19)6-4-12/h3-6,14-17H,2,7-11H2,1H3
InChIKeyLQKYSBVJZORRFN-UHFFFAOYSA-N
XLogP3.07
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.85
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze [3-(4-chlorophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-2-yl]-(1,2-oxazolidin-2-yl)methanone with MolForge

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Related Compounds

3-(4-chlorophenyl)-N-methoxy-N,8-dimethyl-8-azabicyclo[3.2.1]octane-2-carboxamide
CID 22896752
[3-(4-Iodo-phenyl)-8-methyl-8-aza-bicyclo[3.2.1]oct-2-yl]-isoxazolidin-2-yl-methanone
CID 22896756
3-(4-chlorophenyl)-N-(hydroxymethyl)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxamide
CID 22896750
(3S,5R)-3-(4-chlorophenyl)-N,N,8-trimethyl-8-azabicyclo[3.2.1]octane-2-carboxamide
CID 44295882
[3-(4-Chloro-phenyl)-8-methyl-8-aza-bicyclo[3.2.1]oct-2-yl]-pyrrolidin-1-yl-methanone
CID 44295887
3-(4-Chloro-phenyl)-8-methyl-8-aza-bicyclo[3.2.1]octane-2-carboxylic acid amide
CID 9944706
[(1R,2S,3S,5S)-3-(4-chlorophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-2-yl]-pyrrolidin-1-ylmethanone
CID 9996912
3-(4-chlorophenyl)-N,8-dimethyl-8-azabicyclo[3.2.1]octane-2-carboxamide
CID 18931828
[3-(4-Chloro-phenyl)-8-methyl-8-aza-bicyclo[3.2.1]oct-2-yl]-piperidin-1-yl-methanone
CID 22896740
[3-(4-Chloro-phenyl)-8-methyl-8-aza-bicyclo[3.2.1]oct-2-yl]-morpholin-4-yl-methanone
CID 22896743
3-(4-chlorophenyl)-N-methoxy-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxamide
CID 22896751
3-(4-chlorophenyl)-N,N,8-trimethyl-8-azabicyclo[3.2.1]octane-2-carboxamide
CID 22896753

Frequently Asked Questions

What is the IUPAC name of [3-(4-chlorophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-2-yl]-(1,2-oxazolidin-2-yl)methanone?
The IUPAC name of [3-(4-chlorophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-2-yl]-(1,2-oxazolidin-2-yl)methanone (CID 22896741) is [3-(4-chlorophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-2-yl]-(1,2-oxazolidin-2-yl)methanone.
What is the SMILES notation for [3-(4-chlorophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-2-yl]-(1,2-oxazolidin-2-yl)methanone?
The canonical SMILES for [3-(4-chlorophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-2-yl]-(1,2-oxazolidin-2-yl)methanone is CN1C2CCC1C(C(=O)N1CCCO1)C(c1ccc(Cl)cc1)C2.
What is the InChIKey of [3-(4-chlorophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-2-yl]-(1,2-oxazolidin-2-yl)methanone?
The InChIKey is LQKYSBVJZORRFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23ClN2O2/c1-20-14-7-8-16(20)17(18(22)21-9-2-10-23-21)15(11-14)12-3-5-13(19)6-4-12/h3-6,14-17H,2,7-11H2,1H3.
What are the key properties of [3-(4-chlorophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-2-yl]-(1,2-oxazolidin-2-yl)methanone?
[3-(4-chlorophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-2-yl]-(1,2-oxazolidin-2-yl)methanone has a molecular weight of 334.85 g/mol, XLogP of 3.07, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-chlorophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-2-yl]-(1,2-oxazolidin-2-yl)methanone is sourced from PubChem (CID 22896741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).