5-[3-(4-chlorophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-2-yl]-1,2-oxazole

C17H19ClN2O — CID 22896735

IUPAC5-[3-(4-chlorophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-2-yl]-1,2-oxazole
SMILESCN1C2CCC1C(c1ccno1)C(c1ccc(Cl)cc1)C2
InChIInChI=1S/C17H19ClN2O/c1-20-13-6-7-15(20)17(16-8-9-19-21-16)14(10-13)11-2-4-12(18)5-3-11/h2-5,8-9,13-15,17H,6-7,10H2,1H3
InChIKeyOOCVKMWYXDRARP-UHFFFAOYSA-N
MW302.81 g/mol
LogP4.06
Rot. Bonds2

About 5-[3-(4-chlorophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-2-yl]-1,2-oxazole

5-[3-(4-chlorophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-2-yl]-1,2-oxazole (PubChem CID 22896735) has the molecular formula C17H19ClN2O and a molecular weight of 302.81 g/mol. Its IUPAC name is 5-[3-(4-chlorophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-2-yl]-1,2-oxazole.

Molecular Properties

Compound Name5-[3-(4-chlorophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-2-yl]-1,2-oxazole
PubChem CID22896735
Molecular FormulaC17H19ClN2O
Molecular Weight302.81 g/mol
Exact Mass302.12
IUPAC Name5-[3-(4-chlorophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-2-yl]-1,2-oxazole
SMILESCN1C2CCC1C(c1ccno1)C(c1ccc(Cl)cc1)C2
InChIInChI=1S/C17H19ClN2O/c1-20-13-6-7-15(20)17(16-8-9-19-21-16)14(10-13)11-2-4-12(18)5-3-11/h2-5,8-9,13-15,17H,6-7,10H2,1H3
InChIKeyOOCVKMWYXDRARP-UHFFFAOYSA-N
XLogP4.06
TPSA29.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.81
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[3-(4-chlorophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-2-yl]-1,2-oxazole?
The IUPAC name of 5-[3-(4-chlorophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-2-yl]-1,2-oxazole (CID 22896735) is 5-[3-(4-chlorophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-2-yl]-1,2-oxazole.
What is the SMILES notation for 5-[3-(4-chlorophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-2-yl]-1,2-oxazole?
The canonical SMILES for 5-[3-(4-chlorophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-2-yl]-1,2-oxazole is CN1C2CCC1C(c1ccno1)C(c1ccc(Cl)cc1)C2.
What is the InChIKey of 5-[3-(4-chlorophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-2-yl]-1,2-oxazole?
The InChIKey is OOCVKMWYXDRARP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O/c1-20-13-6-7-15(20)17(16-8-9-19-21-16)14(10-13)11-2-4-12(18)5-3-11/h2-5,8-9,13-15,17H,6-7,10H2,1H3.
What are the key properties of 5-[3-(4-chlorophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-2-yl]-1,2-oxazole?
5-[3-(4-chlorophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-2-yl]-1,2-oxazole has a molecular weight of 302.81 g/mol, XLogP of 4.06, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(4-chlorophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-2-yl]-1,2-oxazole is sourced from PubChem (CID 22896735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).