5-(3,4-difluorophenyl)-N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)-1,3-oxazole-2-carboxamide

C18H19F2N3O2 — CID 18182007

IUPAC5-(3,4-difluorophenyl)-N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)-1,3-oxazole-2-carboxamide
SMILESCC1C(NC(=O)c2ncc(-c3ccc(F)c(F)c3)o2)C2CCN1CC2
InChIInChI=1S/C18H19F2N3O2/c1-10-16(11-4-6-23(10)7-5-11)22-17(24)18-21-9-15(25-18)12-2-3-13(19)14(20)8-12/h2-3,8-11,16H,4-7H2,1H3,(H,22,24)
InChIKeyORIUIBATVZJCTA-UHFFFAOYSA-N
MW347.37 g/mol
LogP2.83
Rot. Bonds3

About 5-(3,4-difluorophenyl)-N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)-1,3-oxazole-2-carboxamide

5-(3,4-difluorophenyl)-N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)-1,3-oxazole-2-carboxamide (PubChem CID 18182007) has the molecular formula C18H19F2N3O2 and a molecular weight of 347.37 g/mol. Its IUPAC name is 5-(3,4-difluorophenyl)-N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)-1,3-oxazole-2-carboxamide.

Molecular Properties

Compound Name5-(3,4-difluorophenyl)-N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)-1,3-oxazole-2-carboxamide
PubChem CID18182007
Molecular FormulaC18H19F2N3O2
Molecular Weight347.37 g/mol
Exact Mass347.14
IUPAC Name5-(3,4-difluorophenyl)-N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)-1,3-oxazole-2-carboxamide
SMILESCC1C(NC(=O)c2ncc(-c3ccc(F)c(F)c3)o2)C2CCN1CC2
InChIInChI=1S/C18H19F2N3O2/c1-10-16(11-4-6-23(10)7-5-11)22-17(24)18-21-9-15(25-18)12-2-3-13(19)14(20)8-12/h2-3,8-11,16H,4-7H2,1H3,(H,22,24)
InChIKeyORIUIBATVZJCTA-UHFFFAOYSA-N
XLogP2.83
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.37
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(3,4-difluorophenyl)-N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)-1,3-oxazole-2-carboxamide?
The IUPAC name of 5-(3,4-difluorophenyl)-N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)-1,3-oxazole-2-carboxamide (CID 18182007) is 5-(3,4-difluorophenyl)-N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)-1,3-oxazole-2-carboxamide.
What is the SMILES notation for 5-(3,4-difluorophenyl)-N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)-1,3-oxazole-2-carboxamide?
The canonical SMILES for 5-(3,4-difluorophenyl)-N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)-1,3-oxazole-2-carboxamide is CC1C(NC(=O)c2ncc(-c3ccc(F)c(F)c3)o2)C2CCN1CC2.
What is the InChIKey of 5-(3,4-difluorophenyl)-N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)-1,3-oxazole-2-carboxamide?
The InChIKey is ORIUIBATVZJCTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F2N3O2/c1-10-16(11-4-6-23(10)7-5-11)22-17(24)18-21-9-15(25-18)12-2-3-13(19)14(20)8-12/h2-3,8-11,16H,4-7H2,1H3,(H,22,24).
What are the key properties of 5-(3,4-difluorophenyl)-N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)-1,3-oxazole-2-carboxamide?
5-(3,4-difluorophenyl)-N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)-1,3-oxazole-2-carboxamide has a molecular weight of 347.37 g/mol, XLogP of 2.83, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-difluorophenyl)-N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)-1,3-oxazole-2-carboxamide is sourced from PubChem (CID 18182007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).