4-(8-azabicyclo[3.2.1]oct-2-en-3-yloxymethyl)-5-cyclopropyl-3-(2,6-dimethylphenyl)-1,2-oxazole

C22H26N2O2 — CID 123907919

IUPAC4-(8-azabicyclo[3.2.1]oct-2-en-3-yloxymethyl)-5-cyclopropyl-3-(2,6-dimethylphenyl)-1,2-oxazole
SMILESCc1cccc(C)c1-c1noc(C2CC2)c1COC1=CC2CCC(C1)N2
InChIInChI=1S/C22H26N2O2/c1-13-4-3-5-14(2)20(13)21-19(22(26-24-21)15-6-7-15)12-25-18-10-16-8-9-17(11-18)23-16/h3-5,10,15-17,23H,6-9,11-12H2,1-2H3
InChIKeyHTZOHWCHCWMPJF-UHFFFAOYSA-N
MW350.46 g/mol
LogP4.76
Rot. Bonds5

About 4-(8-azabicyclo[3.2.1]oct-2-en-3-yloxymethyl)-5-cyclopropyl-3-(2,6-dimethylphenyl)-1,2-oxazole

4-(8-azabicyclo[3.2.1]oct-2-en-3-yloxymethyl)-5-cyclopropyl-3-(2,6-dimethylphenyl)-1,2-oxazole (PubChem CID 123907919) has the molecular formula C22H26N2O2 and a molecular weight of 350.46 g/mol. Its IUPAC name is 4-(8-azabicyclo[3.2.1]oct-2-en-3-yloxymethyl)-5-cyclopropyl-3-(2,6-dimethylphenyl)-1,2-oxazole.

Molecular Properties

Compound Name4-(8-azabicyclo[3.2.1]oct-2-en-3-yloxymethyl)-5-cyclopropyl-3-(2,6-dimethylphenyl)-1,2-oxazole
PubChem CID123907919
Molecular FormulaC22H26N2O2
Molecular Weight350.46 g/mol
Exact Mass350.20
IUPAC Name4-(8-azabicyclo[3.2.1]oct-2-en-3-yloxymethyl)-5-cyclopropyl-3-(2,6-dimethylphenyl)-1,2-oxazole
SMILESCc1cccc(C)c1-c1noc(C2CC2)c1COC1=CC2CCC(C1)N2
InChIInChI=1S/C22H26N2O2/c1-13-4-3-5-14(2)20(13)21-19(22(26-24-21)15-6-7-15)12-25-18-10-16-8-9-17(11-18)23-16/h3-5,10,15-17,23H,6-9,11-12H2,1-2H3
InChIKeyHTZOHWCHCWMPJF-UHFFFAOYSA-N
XLogP4.76
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.46
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(8-azabicyclo[3.2.1]oct-2-en-3-yloxymethyl)-5-cyclopropyl-3-(2,6-dimethylphenyl)-1,2-oxazole with MolForge

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Related Compounds

1-[2-chloro-4-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]phenyl]-3-(2-methylphenyl)cyclobutan-1-ol
CID 90323924
5-cyclopropyl-4-[2-[(2S)-5-ethylpyrrolidin-2-yl]ethoxymethyl]-3-(2-methylphenyl)-1,2-oxazole
CID 118422190
4-[[(5S)-8-azabicyclo[3.2.1]octan-3-yl]oxymethyl]-5-cyclopropyl-3-(2-methyl-3-pyridinyl)-1,2-oxazole
CID 118421652
(1R,5S)-3-[[3-(2-chloro-6-methylphenyl)-5-cyclopropyl-1,2-oxazol-4-yl]methoxy]-8-pyridin-2-ylbicyclo[3.2.1]octan-8-ol
CID 121425248
5-cyclopropyl-4-[(2,5-dichlorophenoxy)methyl]-3-(2,6-dichlorophenyl)-1,2-oxazole
CID 152548386
5-cyclopropyl-3-[2-fluoro-6-(trifluoromethyl)phenyl]-4-[(3-methylphenoxy)methyl]-1,2-oxazole
CID 141180501
3-(2-chloro-6-methylphenyl)-5-cyclopropyl-4-(1-pyrrolidin-2-ylbutan-2-yloxymethyl)-1,2-oxazole
CID 166876507
2-[[3-(2-chloro-6-methylphenyl)-5-cyclopropyl-1,2-oxazol-4-yl]methoxy]-5,6-dihydrobenzo[b][1]benzoxepine-9-carboxylic acid
CID 134215033
4-[[(1S,4S,5S)-2-azabicyclo[2.2.2]octan-5-yl]oxymethyl]-5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazole
CID 153380475
4-(bromomethyl)-5-cyclopropyl-3-(2,6-difluorophenyl)-1,2-oxazole
CID 155223675
tert-butyl 4-[(1S,4S,5R)-5-[[5-cyclopropyl-3-(2,6-dimethylphenyl)-1,2-oxazol-4-yl]methoxy]-2-azabicyclo[2.2.1]heptan-2-yl]benzoate
CID 139345666
[3-[2-[2-chloro-4-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]phenyl]ethynyl]phenyl]carbamic acid
CID 135358802

Frequently Asked Questions

What is the IUPAC name of 4-(8-azabicyclo[3.2.1]oct-2-en-3-yloxymethyl)-5-cyclopropyl-3-(2,6-dimethylphenyl)-1,2-oxazole?
The IUPAC name of 4-(8-azabicyclo[3.2.1]oct-2-en-3-yloxymethyl)-5-cyclopropyl-3-(2,6-dimethylphenyl)-1,2-oxazole (CID 123907919) is 4-(8-azabicyclo[3.2.1]oct-2-en-3-yloxymethyl)-5-cyclopropyl-3-(2,6-dimethylphenyl)-1,2-oxazole.
What is the SMILES notation for 4-(8-azabicyclo[3.2.1]oct-2-en-3-yloxymethyl)-5-cyclopropyl-3-(2,6-dimethylphenyl)-1,2-oxazole?
The canonical SMILES for 4-(8-azabicyclo[3.2.1]oct-2-en-3-yloxymethyl)-5-cyclopropyl-3-(2,6-dimethylphenyl)-1,2-oxazole is Cc1cccc(C)c1-c1noc(C2CC2)c1COC1=CC2CCC(C1)N2.
What is the InChIKey of 4-(8-azabicyclo[3.2.1]oct-2-en-3-yloxymethyl)-5-cyclopropyl-3-(2,6-dimethylphenyl)-1,2-oxazole?
The InChIKey is HTZOHWCHCWMPJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O2/c1-13-4-3-5-14(2)20(13)21-19(22(26-24-21)15-6-7-15)12-25-18-10-16-8-9-17(11-18)23-16/h3-5,10,15-17,23H,6-9,11-12H2,1-2H3.
What are the key properties of 4-(8-azabicyclo[3.2.1]oct-2-en-3-yloxymethyl)-5-cyclopropyl-3-(2,6-dimethylphenyl)-1,2-oxazole?
4-(8-azabicyclo[3.2.1]oct-2-en-3-yloxymethyl)-5-cyclopropyl-3-(2,6-dimethylphenyl)-1,2-oxazole has a molecular weight of 350.46 g/mol, XLogP of 4.76, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(8-azabicyclo[3.2.1]oct-2-en-3-yloxymethyl)-5-cyclopropyl-3-(2,6-dimethylphenyl)-1,2-oxazole is sourced from PubChem (CID 123907919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).