4-(8-azabicyclo[3.2.1]octan-3-yloxymethyl)-5-cyclopropyl-3-(4,4-dimethylcyclohexyl)-1,2-oxazole

C22H34N2O2 — CID 67984050

IUPAC4-(8-azabicyclo[3.2.1]octan-3-yloxymethyl)-5-cyclopropyl-3-(4,4-dimethylcyclohexyl)-1,2-oxazole
SMILESCC1(C)CCC(c2noc(C3CC3)c2COC2CC3CCC(C2)N3)CC1
InChIInChI=1S/C22H34N2O2/c1-22(2)9-7-14(8-10-22)20-19(21(26-24-20)15-3-4-15)13-25-18-11-16-5-6-17(12-18)23-16/h14-18,23H,3-13H2,1-2H3
InChIKeyRQJKJYWXIRHUGI-UHFFFAOYSA-N
MW358.53 g/mol
LogP5.04
Rot. Bonds5

About 4-(8-azabicyclo[3.2.1]octan-3-yloxymethyl)-5-cyclopropyl-3-(4,4-dimethylcyclohexyl)-1,2-oxazole

4-(8-azabicyclo[3.2.1]octan-3-yloxymethyl)-5-cyclopropyl-3-(4,4-dimethylcyclohexyl)-1,2-oxazole (PubChem CID 67984050) has the molecular formula C22H34N2O2 and a molecular weight of 358.53 g/mol. Its IUPAC name is 4-(8-azabicyclo[3.2.1]octan-3-yloxymethyl)-5-cyclopropyl-3-(4,4-dimethylcyclohexyl)-1,2-oxazole.

Molecular Properties

Compound Name4-(8-azabicyclo[3.2.1]octan-3-yloxymethyl)-5-cyclopropyl-3-(4,4-dimethylcyclohexyl)-1,2-oxazole
PubChem CID67984050
Molecular FormulaC22H34N2O2
Molecular Weight358.53 g/mol
Exact Mass358.26
IUPAC Name4-(8-azabicyclo[3.2.1]octan-3-yloxymethyl)-5-cyclopropyl-3-(4,4-dimethylcyclohexyl)-1,2-oxazole
SMILESCC1(C)CCC(c2noc(C3CC3)c2COC2CC3CCC(C2)N3)CC1
InChIInChI=1S/C22H34N2O2/c1-22(2)9-7-14(8-10-22)20-19(21(26-24-20)15-3-4-15)13-25-18-11-16-5-6-17(12-18)23-16/h14-18,23H,3-13H2,1-2H3
InChIKeyRQJKJYWXIRHUGI-UHFFFAOYSA-N
XLogP5.04
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.53
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(8-azabicyclo[3.2.1]octan-3-yloxymethyl)-5-cyclopropyl-3-(4,4-dimethylcyclohexyl)-1,2-oxazole?
The IUPAC name of 4-(8-azabicyclo[3.2.1]octan-3-yloxymethyl)-5-cyclopropyl-3-(4,4-dimethylcyclohexyl)-1,2-oxazole (CID 67984050) is 4-(8-azabicyclo[3.2.1]octan-3-yloxymethyl)-5-cyclopropyl-3-(4,4-dimethylcyclohexyl)-1,2-oxazole.
What is the SMILES notation for 4-(8-azabicyclo[3.2.1]octan-3-yloxymethyl)-5-cyclopropyl-3-(4,4-dimethylcyclohexyl)-1,2-oxazole?
The canonical SMILES for 4-(8-azabicyclo[3.2.1]octan-3-yloxymethyl)-5-cyclopropyl-3-(4,4-dimethylcyclohexyl)-1,2-oxazole is CC1(C)CCC(c2noc(C3CC3)c2COC2CC3CCC(C2)N3)CC1.
What is the InChIKey of 4-(8-azabicyclo[3.2.1]octan-3-yloxymethyl)-5-cyclopropyl-3-(4,4-dimethylcyclohexyl)-1,2-oxazole?
The InChIKey is RQJKJYWXIRHUGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34N2O2/c1-22(2)9-7-14(8-10-22)20-19(21(26-24-20)15-3-4-15)13-25-18-11-16-5-6-17(12-18)23-16/h14-18,23H,3-13H2,1-2H3.
What are the key properties of 4-(8-azabicyclo[3.2.1]octan-3-yloxymethyl)-5-cyclopropyl-3-(4,4-dimethylcyclohexyl)-1,2-oxazole?
4-(8-azabicyclo[3.2.1]octan-3-yloxymethyl)-5-cyclopropyl-3-(4,4-dimethylcyclohexyl)-1,2-oxazole has a molecular weight of 358.53 g/mol, XLogP of 5.04, 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]octan-3-yloxymethyl)-5-cyclopropyl-3-(4,4-dimethylcyclohexyl)-1,2-oxazole is sourced from PubChem (CID 67984050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).