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

C23H18F5N3O4 — CID 169250713

IUPAC(4R)-4-[6-[2-(3,4-difluoro-2-methylphenoxy)-4-methyl-5-(trifluoromethyl)-3-pyridinyl]-2-methyl-4-oxo-1H-pyridin-3-yl]-1,3-oxazolidin-2-one
SMILESCc1[nH]c(-c2c(Oc3ccc(F)c(F)c3C)ncc(C(F)(F)F)c2C)cc(=O)c1[C@@H]1COC(=O)N1
InChIInChI=1S/C23H18F5N3O4/c1-9-12(23(26,27)28)7-29-21(35-17-5-4-13(24)20(25)10(17)2)18(9)14-6-16(32)19(11(3)30-14)15-8-34-22(33)31-15/h4-7,15H,8H2,1-3H3,(H,30,32)(H,31,33)/t15-/m0/s1
InChIKeyXBXOMQVOSVOEOE-HNNXBMFYSA-N
MW495.40 g/mol
LogP5.23
Rot. Bonds4

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

(4R)-4-[6-[2-(3,4-difluoro-2-methylphenoxy)-4-methyl-5-(trifluoromethyl)-3-pyridinyl]-2-methyl-4-oxo-1H-pyridin-3-yl]-1,3-oxazolidin-2-one (PubChem CID 169250713) has the molecular formula C23H18F5N3O4 and a molecular weight of 495.40 g/mol. Its IUPAC name is (4R)-4-[6-[2-(3,4-difluoro-2-methylphenoxy)-4-methyl-5-(trifluoromethyl)-3-pyridinyl]-2-methyl-4-oxo-1H-pyridin-3-yl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4R)-4-[6-[2-(3,4-difluoro-2-methylphenoxy)-4-methyl-5-(trifluoromethyl)-3-pyridinyl]-2-methyl-4-oxo-1H-pyridin-3-yl]-1,3-oxazolidin-2-one
PubChem CID169250713
Molecular FormulaC23H18F5N3O4
Molecular Weight495.40 g/mol
Exact Mass495.12
IUPAC Name(4R)-4-[6-[2-(3,4-difluoro-2-methylphenoxy)-4-methyl-5-(trifluoromethyl)-3-pyridinyl]-2-methyl-4-oxo-1H-pyridin-3-yl]-1,3-oxazolidin-2-one
SMILESCc1[nH]c(-c2c(Oc3ccc(F)c(F)c3C)ncc(C(F)(F)F)c2C)cc(=O)c1[C@@H]1COC(=O)N1
InChIInChI=1S/C23H18F5N3O4/c1-9-12(23(26,27)28)7-29-21(35-17-5-4-13(24)20(25)10(17)2)18(9)14-6-16(32)19(11(3)30-14)15-8-34-22(33)31-15/h4-7,15H,8H2,1-3H3,(H,30,32)(H,31,33)/t15-/m0/s1
InChIKeyXBXOMQVOSVOEOE-HNNXBMFYSA-N
XLogP5.23
TPSA93.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500495.40
LogP ≤ 55.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (4R)-4-[6-[2-(3,4-difluoro-2-methylphenoxy)-4-methyl-5-(trifluoromethyl)-3-pyridinyl]-2-methyl-4-oxo-1H-pyridin-3-yl]-1,3-oxazolidin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-[6-[2-(3,4-difluoro-2-methylphenoxy)-4-methyl-5-(trifluoromethyl)-3-pyridinyl]-2-methyl-4-oxo-1H-pyridin-3-yl]-1,3-oxazolidin-2-one?
The IUPAC name of (4R)-4-[6-[2-(3,4-difluoro-2-methylphenoxy)-4-methyl-5-(trifluoromethyl)-3-pyridinyl]-2-methyl-4-oxo-1H-pyridin-3-yl]-1,3-oxazolidin-2-one (CID 169250713) is (4R)-4-[6-[2-(3,4-difluoro-2-methylphenoxy)-4-methyl-5-(trifluoromethyl)-3-pyridinyl]-2-methyl-4-oxo-1H-pyridin-3-yl]-1,3-oxazolidin-2-one.
What is the SMILES notation for (4R)-4-[6-[2-(3,4-difluoro-2-methylphenoxy)-4-methyl-5-(trifluoromethyl)-3-pyridinyl]-2-methyl-4-oxo-1H-pyridin-3-yl]-1,3-oxazolidin-2-one?
The canonical SMILES for (4R)-4-[6-[2-(3,4-difluoro-2-methylphenoxy)-4-methyl-5-(trifluoromethyl)-3-pyridinyl]-2-methyl-4-oxo-1H-pyridin-3-yl]-1,3-oxazolidin-2-one is Cc1[nH]c(-c2c(Oc3ccc(F)c(F)c3C)ncc(C(F)(F)F)c2C)cc(=O)c1[C@@H]1COC(=O)N1.
What is the InChIKey of (4R)-4-[6-[2-(3,4-difluoro-2-methylphenoxy)-4-methyl-5-(trifluoromethyl)-3-pyridinyl]-2-methyl-4-oxo-1H-pyridin-3-yl]-1,3-oxazolidin-2-one?
The InChIKey is XBXOMQVOSVOEOE-HNNXBMFYSA-N. The full InChI is InChI=1S/C23H18F5N3O4/c1-9-12(23(26,27)28)7-29-21(35-17-5-4-13(24)20(25)10(17)2)18(9)14-6-16(32)19(11(3)30-14)15-8-34-22(33)31-15/h4-7,15H,8H2,1-3H3,(H,30,32)(H,31,33)/t15-/m0/s1.
What are the key properties of (4R)-4-[6-[2-(3,4-difluoro-2-methylphenoxy)-4-methyl-5-(trifluoromethyl)-3-pyridinyl]-2-methyl-4-oxo-1H-pyridin-3-yl]-1,3-oxazolidin-2-one?
(4R)-4-[6-[2-(3,4-difluoro-2-methylphenoxy)-4-methyl-5-(trifluoromethyl)-3-pyridinyl]-2-methyl-4-oxo-1H-pyridin-3-yl]-1,3-oxazolidin-2-one has a molecular weight of 495.40 g/mol, XLogP of 5.23, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[6-[2-(3,4-difluoro-2-methylphenoxy)-4-methyl-5-(trifluoromethyl)-3-pyridinyl]-2-methyl-4-oxo-1H-pyridin-3-yl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 169250713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).