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

C20H23FN2O2 — CID 67983738

IUPAC4-(8-azabicyclo[3.2.1]octan-3-yloxymethyl)-5-cyclopropyl-3-(2-fluorophenyl)-1,2-oxazole
SMILESFc1ccccc1-c1noc(C2CC2)c1COC1CC2CCC(C1)N2
InChIInChI=1S/C20H23FN2O2/c21-18-4-2-1-3-16(18)19-17(20(25-23-19)12-5-6-12)11-24-15-9-13-7-8-14(10-15)22-13/h1-4,12-15,22H,5-11H2
InChIKeyGAQICNZWKPOMGN-UHFFFAOYSA-N
MW342.41 g/mol
LogP4.16
Rot. Bonds5

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

4-(8-azabicyclo[3.2.1]octan-3-yloxymethyl)-5-cyclopropyl-3-(2-fluorophenyl)-1,2-oxazole (PubChem CID 67983738) has the molecular formula C20H23FN2O2 and a molecular weight of 342.41 g/mol. Its IUPAC name is 4-(8-azabicyclo[3.2.1]octan-3-yloxymethyl)-5-cyclopropyl-3-(2-fluorophenyl)-1,2-oxazole.

Molecular Properties

Compound Name4-(8-azabicyclo[3.2.1]octan-3-yloxymethyl)-5-cyclopropyl-3-(2-fluorophenyl)-1,2-oxazole
PubChem CID67983738
Molecular FormulaC20H23FN2O2
Molecular Weight342.41 g/mol
Exact Mass342.17
IUPAC Name4-(8-azabicyclo[3.2.1]octan-3-yloxymethyl)-5-cyclopropyl-3-(2-fluorophenyl)-1,2-oxazole
SMILESFc1ccccc1-c1noc(C2CC2)c1COC1CC2CCC(C1)N2
InChIInChI=1S/C20H23FN2O2/c21-18-4-2-1-3-16(18)19-17(20(25-23-19)12-5-6-12)11-24-15-9-13-7-8-14(10-15)22-13/h1-4,12-15,22H,5-11H2
InChIKeyGAQICNZWKPOMGN-UHFFFAOYSA-N
XLogP4.16
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.41
LogP ≤ 54.16
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-(2-fluorophenyl)-1,2-oxazole?
The IUPAC name of 4-(8-azabicyclo[3.2.1]octan-3-yloxymethyl)-5-cyclopropyl-3-(2-fluorophenyl)-1,2-oxazole (CID 67983738) is 4-(8-azabicyclo[3.2.1]octan-3-yloxymethyl)-5-cyclopropyl-3-(2-fluorophenyl)-1,2-oxazole.
What is the SMILES notation for 4-(8-azabicyclo[3.2.1]octan-3-yloxymethyl)-5-cyclopropyl-3-(2-fluorophenyl)-1,2-oxazole?
The canonical SMILES for 4-(8-azabicyclo[3.2.1]octan-3-yloxymethyl)-5-cyclopropyl-3-(2-fluorophenyl)-1,2-oxazole is Fc1ccccc1-c1noc(C2CC2)c1COC1CC2CCC(C1)N2.
What is the InChIKey of 4-(8-azabicyclo[3.2.1]octan-3-yloxymethyl)-5-cyclopropyl-3-(2-fluorophenyl)-1,2-oxazole?
The InChIKey is GAQICNZWKPOMGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN2O2/c21-18-4-2-1-3-16(18)19-17(20(25-23-19)12-5-6-12)11-24-15-9-13-7-8-14(10-15)22-13/h1-4,12-15,22H,5-11H2.
What are the key properties of 4-(8-azabicyclo[3.2.1]octan-3-yloxymethyl)-5-cyclopropyl-3-(2-fluorophenyl)-1,2-oxazole?
4-(8-azabicyclo[3.2.1]octan-3-yloxymethyl)-5-cyclopropyl-3-(2-fluorophenyl)-1,2-oxazole has a molecular weight of 342.41 g/mol, XLogP of 4.16, 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-(2-fluorophenyl)-1,2-oxazole is sourced from PubChem (CID 67983738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).