6-[2-(3,4-difluoro-2-methylphenoxy)-4-methyl-5-(trifluoromethyl)-3-pyridinyl]-2-methyl-3-(1,3-oxazol-2-yl)-1H-pyridin-4-one

C23H16F5N3O3 — CID 169250650

IUPAC6-[2-(3,4-difluoro-2-methylphenoxy)-4-methyl-5-(trifluoromethyl)-3-pyridinyl]-2-methyl-3-(1,3-oxazol-2-yl)-1H-pyridin-4-one
SMILESCc1[nH]c(-c2c(Oc3ccc(F)c(F)c3C)ncc(C(F)(F)F)c2C)cc(=O)c1-c1ncco1
InChIInChI=1S/C23H16F5N3O3/c1-10-13(23(26,27)28)9-30-22(34-17-5-4-14(24)20(25)11(17)2)18(10)15-8-16(32)19(12(3)31-15)21-29-6-7-33-21/h4-9H,1-3H3,(H,31,32)
InChIKeySYZQAZBPIOOCHQ-UHFFFAOYSA-N
MW477.39 g/mol
LogP6.11
Rot. Bonds4

About 6-[2-(3,4-difluoro-2-methylphenoxy)-4-methyl-5-(trifluoromethyl)-3-pyridinyl]-2-methyl-3-(1,3-oxazol-2-yl)-1H-pyridin-4-one

6-[2-(3,4-difluoro-2-methylphenoxy)-4-methyl-5-(trifluoromethyl)-3-pyridinyl]-2-methyl-3-(1,3-oxazol-2-yl)-1H-pyridin-4-one (PubChem CID 169250650) has the molecular formula C23H16F5N3O3 and a molecular weight of 477.39 g/mol. Its IUPAC name is 6-[2-(3,4-difluoro-2-methylphenoxy)-4-methyl-5-(trifluoromethyl)-3-pyridinyl]-2-methyl-3-(1,3-oxazol-2-yl)-1H-pyridin-4-one.

Molecular Properties

Compound Name6-[2-(3,4-difluoro-2-methylphenoxy)-4-methyl-5-(trifluoromethyl)-3-pyridinyl]-2-methyl-3-(1,3-oxazol-2-yl)-1H-pyridin-4-one
PubChem CID169250650
Molecular FormulaC23H16F5N3O3
Molecular Weight477.39 g/mol
Exact Mass477.11
IUPAC Name6-[2-(3,4-difluoro-2-methylphenoxy)-4-methyl-5-(trifluoromethyl)-3-pyridinyl]-2-methyl-3-(1,3-oxazol-2-yl)-1H-pyridin-4-one
SMILESCc1[nH]c(-c2c(Oc3ccc(F)c(F)c3C)ncc(C(F)(F)F)c2C)cc(=O)c1-c1ncco1
InChIInChI=1S/C23H16F5N3O3/c1-10-13(23(26,27)28)9-30-22(34-17-5-4-14(24)20(25)11(17)2)18(10)15-8-16(32)19(12(3)31-15)21-29-6-7-33-21/h4-9H,1-3H3,(H,31,32)
InChIKeySYZQAZBPIOOCHQ-UHFFFAOYSA-N
XLogP6.11
TPSA81.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.39
LogP ≤ 56.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[2-(3,4-difluoro-2-methylphenoxy)-4-methyl-5-(trifluoromethyl)-3-pyridinyl]-2-methyl-3-(1,3-oxazol-2-yl)-1H-pyridin-4-one?
The IUPAC name of 6-[2-(3,4-difluoro-2-methylphenoxy)-4-methyl-5-(trifluoromethyl)-3-pyridinyl]-2-methyl-3-(1,3-oxazol-2-yl)-1H-pyridin-4-one (CID 169250650) is 6-[2-(3,4-difluoro-2-methylphenoxy)-4-methyl-5-(trifluoromethyl)-3-pyridinyl]-2-methyl-3-(1,3-oxazol-2-yl)-1H-pyridin-4-one.
What is the SMILES notation for 6-[2-(3,4-difluoro-2-methylphenoxy)-4-methyl-5-(trifluoromethyl)-3-pyridinyl]-2-methyl-3-(1,3-oxazol-2-yl)-1H-pyridin-4-one?
The canonical SMILES for 6-[2-(3,4-difluoro-2-methylphenoxy)-4-methyl-5-(trifluoromethyl)-3-pyridinyl]-2-methyl-3-(1,3-oxazol-2-yl)-1H-pyridin-4-one is Cc1[nH]c(-c2c(Oc3ccc(F)c(F)c3C)ncc(C(F)(F)F)c2C)cc(=O)c1-c1ncco1.
What is the InChIKey of 6-[2-(3,4-difluoro-2-methylphenoxy)-4-methyl-5-(trifluoromethyl)-3-pyridinyl]-2-methyl-3-(1,3-oxazol-2-yl)-1H-pyridin-4-one?
The InChIKey is SYZQAZBPIOOCHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16F5N3O3/c1-10-13(23(26,27)28)9-30-22(34-17-5-4-14(24)20(25)11(17)2)18(10)15-8-16(32)19(12(3)31-15)21-29-6-7-33-21/h4-9H,1-3H3,(H,31,32).
What are the key properties of 6-[2-(3,4-difluoro-2-methylphenoxy)-4-methyl-5-(trifluoromethyl)-3-pyridinyl]-2-methyl-3-(1,3-oxazol-2-yl)-1H-pyridin-4-one?
6-[2-(3,4-difluoro-2-methylphenoxy)-4-methyl-5-(trifluoromethyl)-3-pyridinyl]-2-methyl-3-(1,3-oxazol-2-yl)-1H-pyridin-4-one has a molecular weight of 477.39 g/mol, XLogP of 6.11, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(3,4-difluoro-2-methylphenoxy)-4-methyl-5-(trifluoromethyl)-3-pyridinyl]-2-methyl-3-(1,3-oxazol-2-yl)-1H-pyridin-4-one is sourced from PubChem (CID 169250650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).