6-[5-(3,4-dimethoxyphenyl)-1,3-oxazol-2-yl]-1-pyridin-2-yl-3-(trifluoromethyl)pyridin-2-one

C22H16F3N3O4 — CID 122229562

IUPAC6-[5-(3,4-dimethoxyphenyl)-1,3-oxazol-2-yl]-1-pyridin-2-yl-3-(trifluoromethyl)pyridin-2-one
SMILESCOc1ccc(-c2cnc(-c3ccc(C(F)(F)F)c(=O)n3-c3ccccn3)o2)cc1OC
InChIInChI=1S/C22H16F3N3O4/c1-30-16-9-6-13(11-17(16)31-2)18-12-27-20(32-18)15-8-7-14(22(23,24)25)21(29)28(15)19-5-3-4-10-26-19/h3-12H,1-2H3
InChIKeyKLXCMUJQDLWSSX-UHFFFAOYSA-N
MW443.38 g/mol
LogP4.59
Rot. Bonds5

About 6-[5-(3,4-dimethoxyphenyl)-1,3-oxazol-2-yl]-1-pyridin-2-yl-3-(trifluoromethyl)pyridin-2-one

6-[5-(3,4-dimethoxyphenyl)-1,3-oxazol-2-yl]-1-pyridin-2-yl-3-(trifluoromethyl)pyridin-2-one (PubChem CID 122229562) has the molecular formula C22H16F3N3O4 and a molecular weight of 443.38 g/mol. Its IUPAC name is 6-[5-(3,4-dimethoxyphenyl)-1,3-oxazol-2-yl]-1-pyridin-2-yl-3-(trifluoromethyl)pyridin-2-one.

Molecular Properties

Compound Name6-[5-(3,4-dimethoxyphenyl)-1,3-oxazol-2-yl]-1-pyridin-2-yl-3-(trifluoromethyl)pyridin-2-one
PubChem CID122229562
Molecular FormulaC22H16F3N3O4
Molecular Weight443.38 g/mol
Exact Mass443.11
IUPAC Name6-[5-(3,4-dimethoxyphenyl)-1,3-oxazol-2-yl]-1-pyridin-2-yl-3-(trifluoromethyl)pyridin-2-one
SMILESCOc1ccc(-c2cnc(-c3ccc(C(F)(F)F)c(=O)n3-c3ccccn3)o2)cc1OC
InChIInChI=1S/C22H16F3N3O4/c1-30-16-9-6-13(11-17(16)31-2)18-12-27-20(32-18)15-8-7-14(22(23,24)25)21(29)28(15)19-5-3-4-10-26-19/h3-12H,1-2H3
InChIKeyKLXCMUJQDLWSSX-UHFFFAOYSA-N
XLogP4.59
TPSA79.38 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.38
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[5-(3,4-dimethoxyphenyl)-1,3-oxazol-2-yl]-1-pyridin-2-yl-3-(trifluoromethyl)pyridin-2-one?
The IUPAC name of 6-[5-(3,4-dimethoxyphenyl)-1,3-oxazol-2-yl]-1-pyridin-2-yl-3-(trifluoromethyl)pyridin-2-one (CID 122229562) is 6-[5-(3,4-dimethoxyphenyl)-1,3-oxazol-2-yl]-1-pyridin-2-yl-3-(trifluoromethyl)pyridin-2-one.
What is the SMILES notation for 6-[5-(3,4-dimethoxyphenyl)-1,3-oxazol-2-yl]-1-pyridin-2-yl-3-(trifluoromethyl)pyridin-2-one?
The canonical SMILES for 6-[5-(3,4-dimethoxyphenyl)-1,3-oxazol-2-yl]-1-pyridin-2-yl-3-(trifluoromethyl)pyridin-2-one is COc1ccc(-c2cnc(-c3ccc(C(F)(F)F)c(=O)n3-c3ccccn3)o2)cc1OC.
What is the InChIKey of 6-[5-(3,4-dimethoxyphenyl)-1,3-oxazol-2-yl]-1-pyridin-2-yl-3-(trifluoromethyl)pyridin-2-one?
The InChIKey is KLXCMUJQDLWSSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16F3N3O4/c1-30-16-9-6-13(11-17(16)31-2)18-12-27-20(32-18)15-8-7-14(22(23,24)25)21(29)28(15)19-5-3-4-10-26-19/h3-12H,1-2H3.
What are the key properties of 6-[5-(3,4-dimethoxyphenyl)-1,3-oxazol-2-yl]-1-pyridin-2-yl-3-(trifluoromethyl)pyridin-2-one?
6-[5-(3,4-dimethoxyphenyl)-1,3-oxazol-2-yl]-1-pyridin-2-yl-3-(trifluoromethyl)pyridin-2-one has a molecular weight of 443.38 g/mol, XLogP of 4.59, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-(3,4-dimethoxyphenyl)-1,3-oxazol-2-yl]-1-pyridin-2-yl-3-(trifluoromethyl)pyridin-2-one is sourced from PubChem (CID 122229562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).