5-(3-chlorophenoxy)-N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)-1,3-oxazole-2-carboxamide

C18H20ClN3O3 — CID 18181716

IUPAC5-(3-chlorophenoxy)-N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)-1,3-oxazole-2-carboxamide
SMILESCC1C(NC(=O)c2ncc(Oc3cccc(Cl)c3)o2)C2CCN1CC2
InChIInChI=1S/C18H20ClN3O3/c1-11-16(12-5-7-22(11)8-6-12)21-17(23)18-20-10-15(25-18)24-14-4-2-3-13(19)9-14/h2-4,9-12,16H,5-8H2,1H3,(H,21,23)
InChIKeyCNDNRZKQVNAQEO-UHFFFAOYSA-N
MW361.83 g/mol
LogP3.33
Rot. Bonds4

About 5-(3-chlorophenoxy)-N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)-1,3-oxazole-2-carboxamide

5-(3-chlorophenoxy)-N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)-1,3-oxazole-2-carboxamide (PubChem CID 18181716) has the molecular formula C18H20ClN3O3 and a molecular weight of 361.83 g/mol. Its IUPAC name is 5-(3-chlorophenoxy)-N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)-1,3-oxazole-2-carboxamide.

Molecular Properties

Compound Name5-(3-chlorophenoxy)-N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)-1,3-oxazole-2-carboxamide
PubChem CID18181716
Molecular FormulaC18H20ClN3O3
Molecular Weight361.83 g/mol
Exact Mass361.12
IUPAC Name5-(3-chlorophenoxy)-N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)-1,3-oxazole-2-carboxamide
SMILESCC1C(NC(=O)c2ncc(Oc3cccc(Cl)c3)o2)C2CCN1CC2
InChIInChI=1S/C18H20ClN3O3/c1-11-16(12-5-7-22(11)8-6-12)21-17(23)18-20-10-15(25-18)24-14-4-2-3-13(19)9-14/h2-4,9-12,16H,5-8H2,1H3,(H,21,23)
InChIKeyCNDNRZKQVNAQEO-UHFFFAOYSA-N
XLogP3.33
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.83
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(3-chlorophenoxy)-N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)-1,3-oxazole-2-carboxamide?
The IUPAC name of 5-(3-chlorophenoxy)-N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)-1,3-oxazole-2-carboxamide (CID 18181716) is 5-(3-chlorophenoxy)-N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)-1,3-oxazole-2-carboxamide.
What is the SMILES notation for 5-(3-chlorophenoxy)-N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)-1,3-oxazole-2-carboxamide?
The canonical SMILES for 5-(3-chlorophenoxy)-N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)-1,3-oxazole-2-carboxamide is CC1C(NC(=O)c2ncc(Oc3cccc(Cl)c3)o2)C2CCN1CC2.
What is the InChIKey of 5-(3-chlorophenoxy)-N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)-1,3-oxazole-2-carboxamide?
The InChIKey is CNDNRZKQVNAQEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN3O3/c1-11-16(12-5-7-22(11)8-6-12)21-17(23)18-20-10-15(25-18)24-14-4-2-3-13(19)9-14/h2-4,9-12,16H,5-8H2,1H3,(H,21,23).
What are the key properties of 5-(3-chlorophenoxy)-N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)-1,3-oxazole-2-carboxamide?
5-(3-chlorophenoxy)-N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)-1,3-oxazole-2-carboxamide has a molecular weight of 361.83 g/mol, XLogP of 3.33, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chlorophenoxy)-N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)-1,3-oxazole-2-carboxamide is sourced from PubChem (CID 18181716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).