4-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[3-(2-methylphenyl)-8-azabicyclo[3.2.1]octan-8-yl]butan-1-one

C23H30N2O2 — CID 122527243

IUPAC4-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[3-(2-methylphenyl)-8-azabicyclo[3.2.1]octan-8-yl]butan-1-one
SMILESCc1ccccc1C1CC2CCC(C1)N2C(=O)CCCc1c(C)noc1C
InChIInChI=1S/C23H30N2O2/c1-15-7-4-5-8-21(15)18-13-19-11-12-20(14-18)25(19)23(26)10-6-9-22-16(2)24-27-17(22)3/h4-5,7-8,18-20H,6,9-14H2,1-3H3
InChIKeyOCXKTFJVCQPXJY-UHFFFAOYSA-N
MW366.51 g/mol
LogP4.86
Rot. Bonds5

About 4-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[3-(2-methylphenyl)-8-azabicyclo[3.2.1]octan-8-yl]butan-1-one

4-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[3-(2-methylphenyl)-8-azabicyclo[3.2.1]octan-8-yl]butan-1-one (PubChem CID 122527243) has the molecular formula C23H30N2O2 and a molecular weight of 366.51 g/mol. Its IUPAC name is 4-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[3-(2-methylphenyl)-8-azabicyclo[3.2.1]octan-8-yl]butan-1-one.

Molecular Properties

Compound Name4-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[3-(2-methylphenyl)-8-azabicyclo[3.2.1]octan-8-yl]butan-1-one
PubChem CID122527243
Molecular FormulaC23H30N2O2
Molecular Weight366.51 g/mol
Exact Mass366.23
IUPAC Name4-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[3-(2-methylphenyl)-8-azabicyclo[3.2.1]octan-8-yl]butan-1-one
SMILESCc1ccccc1C1CC2CCC(C1)N2C(=O)CCCc1c(C)noc1C
InChIInChI=1S/C23H30N2O2/c1-15-7-4-5-8-21(15)18-13-19-11-12-20(14-18)25(19)23(26)10-6-9-22-16(2)24-27-17(22)3/h4-5,7-8,18-20H,6,9-14H2,1-3H3
InChIKeyOCXKTFJVCQPXJY-UHFFFAOYSA-N
XLogP4.86
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.51
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-1-[3-(2,4-dimethylphenyl)-8-azabicyclo[3.2.1]octan-8-yl]ethanone
CID 170230675
1-[(1R,2R,4S)-2-benzyl-2-(hydroxymethyl)-7-azabicyclo[2.2.1]heptan-7-yl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)propan-1-one
CID 146046130
3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(2R,3R,5R)-3,5-dimethyl-2-phenylmorpholin-4-yl]propan-1-one
CID 100898420
3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(2S)-2-phenylpyrrolidin-1-yl]propan-1-one
CID 94578579
3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(2-phenylpyrrolidin-1-yl)propan-1-one
CID 75459962
N-(2,3-dihydro-1H-inden-1-yl)-3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-methylpropanamide
CID 42885693
3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(2R)-2-phenylazepan-1-yl]propan-1-one
CID 97313178
(1R,2R,4S)-7-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl]-2-ethyl-7-azabicyclo[2.2.1]heptane-2-carboxylic acid
CID 146041239
[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-[(1R,2S)-2-phenylcyclopropyl]methanone;3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[4-(2-fluorophenyl)piperazin-1-yl]propan-1-one;3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[4-(2-methylphenyl)piperazin-1-yl]propan-1-one;2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-1-[3-[2-(3-hydroxyprop-1-ynyl)phenyl]-8-azabicyclo[3.2.1]octan-8-yl]ethanone;[4-(2-fluorophenyl)piperazin-1-yl]-[(1R,2S)-2-phenylcyclopropyl]methanone
CID 160599228
1-[(2R)-2-(2-chlorophenyl)morpholin-4-yl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)propan-1-one
CID 95281367
N-(2,3-dihydro-1H-inden-1-yl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide
CID 42924290
3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[3-(2-methylbenzimidazol-1-yl)azetidin-1-yl]propan-1-one
CID 139027517

Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[3-(2-methylphenyl)-8-azabicyclo[3.2.1]octan-8-yl]butan-1-one?
The IUPAC name of 4-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[3-(2-methylphenyl)-8-azabicyclo[3.2.1]octan-8-yl]butan-1-one (CID 122527243) is 4-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[3-(2-methylphenyl)-8-azabicyclo[3.2.1]octan-8-yl]butan-1-one.
What is the SMILES notation for 4-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[3-(2-methylphenyl)-8-azabicyclo[3.2.1]octan-8-yl]butan-1-one?
The canonical SMILES for 4-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[3-(2-methylphenyl)-8-azabicyclo[3.2.1]octan-8-yl]butan-1-one is Cc1ccccc1C1CC2CCC(C1)N2C(=O)CCCc1c(C)noc1C.
What is the InChIKey of 4-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[3-(2-methylphenyl)-8-azabicyclo[3.2.1]octan-8-yl]butan-1-one?
The InChIKey is OCXKTFJVCQPXJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O2/c1-15-7-4-5-8-21(15)18-13-19-11-12-20(14-18)25(19)23(26)10-6-9-22-16(2)24-27-17(22)3/h4-5,7-8,18-20H,6,9-14H2,1-3H3.
What are the key properties of 4-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[3-(2-methylphenyl)-8-azabicyclo[3.2.1]octan-8-yl]butan-1-one?
4-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[3-(2-methylphenyl)-8-azabicyclo[3.2.1]octan-8-yl]butan-1-one has a molecular weight of 366.51 g/mol, XLogP of 4.86, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[3-(2-methylphenyl)-8-azabicyclo[3.2.1]octan-8-yl]butan-1-one is sourced from PubChem (CID 122527243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).