(5R)-3-[3,5-difluoro-4-[6-(3-methyl-2-oxoimidazolidin-1-yl)-3-pyridinyl]phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one

C19H18F2N4O4 — CID 56929783

IUPAC(5R)-3-[3,5-difluoro-4-[6-(3-methyl-2-oxoimidazolidin-1-yl)-3-pyridinyl]phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one
SMILESCN1CCN(c2ccc(-c3c(F)cc(N4C[C@H](CO)OC4=O)cc3F)cn2)C1=O
InChIInChI=1S/C19H18F2N4O4/c1-23-4-5-24(18(23)27)16-3-2-11(8-22-16)17-14(20)6-12(7-15(17)21)25-9-13(10-26)29-19(25)28/h2-3,6-8,13,26H,4-5,9-10H2,1H3/t13-/m1/s1
InChIKeyVWFCJXQTIBCKPJ-CYBMUJFWSA-N
MW404.37 g/mol
LogP2.22
Rot. Bonds4

About (5R)-3-[3,5-difluoro-4-[6-(3-methyl-2-oxoimidazolidin-1-yl)-3-pyridinyl]phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one

(5R)-3-[3,5-difluoro-4-[6-(3-methyl-2-oxoimidazolidin-1-yl)-3-pyridinyl]phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one (PubChem CID 56929783) has the molecular formula C19H18F2N4O4 and a molecular weight of 404.37 g/mol. Its IUPAC name is (5R)-3-[3,5-difluoro-4-[6-(3-methyl-2-oxoimidazolidin-1-yl)-3-pyridinyl]phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(5R)-3-[3,5-difluoro-4-[6-(3-methyl-2-oxoimidazolidin-1-yl)-3-pyridinyl]phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one
PubChem CID56929783
Molecular FormulaC19H18F2N4O4
Molecular Weight404.37 g/mol
Exact Mass404.13
IUPAC Name(5R)-3-[3,5-difluoro-4-[6-(3-methyl-2-oxoimidazolidin-1-yl)-3-pyridinyl]phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one
SMILESCN1CCN(c2ccc(-c3c(F)cc(N4C[C@H](CO)OC4=O)cc3F)cn2)C1=O
InChIInChI=1S/C19H18F2N4O4/c1-23-4-5-24(18(23)27)16-3-2-11(8-22-16)17-14(20)6-12(7-15(17)21)25-9-13(10-26)29-19(25)28/h2-3,6-8,13,26H,4-5,9-10H2,1H3/t13-/m1/s1
InChIKeyVWFCJXQTIBCKPJ-CYBMUJFWSA-N
XLogP2.22
TPSA86.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.37
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (5R)-3-[3,5-difluoro-4-[6-(3-methyl-2-oxoimidazolidin-1-yl)-3-pyridinyl]phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one?
The IUPAC name of (5R)-3-[3,5-difluoro-4-[6-(3-methyl-2-oxoimidazolidin-1-yl)-3-pyridinyl]phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one (CID 56929783) is (5R)-3-[3,5-difluoro-4-[6-(3-methyl-2-oxoimidazolidin-1-yl)-3-pyridinyl]phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for (5R)-3-[3,5-difluoro-4-[6-(3-methyl-2-oxoimidazolidin-1-yl)-3-pyridinyl]phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one?
The canonical SMILES for (5R)-3-[3,5-difluoro-4-[6-(3-methyl-2-oxoimidazolidin-1-yl)-3-pyridinyl]phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one is CN1CCN(c2ccc(-c3c(F)cc(N4C[C@H](CO)OC4=O)cc3F)cn2)C1=O.
What is the InChIKey of (5R)-3-[3,5-difluoro-4-[6-(3-methyl-2-oxoimidazolidin-1-yl)-3-pyridinyl]phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one?
The InChIKey is VWFCJXQTIBCKPJ-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H18F2N4O4/c1-23-4-5-24(18(23)27)16-3-2-11(8-22-16)17-14(20)6-12(7-15(17)21)25-9-13(10-26)29-19(25)28/h2-3,6-8,13,26H,4-5,9-10H2,1H3/t13-/m1/s1.
What are the key properties of (5R)-3-[3,5-difluoro-4-[6-(3-methyl-2-oxoimidazolidin-1-yl)-3-pyridinyl]phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one?
(5R)-3-[3,5-difluoro-4-[6-(3-methyl-2-oxoimidazolidin-1-yl)-3-pyridinyl]phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one has a molecular weight of 404.37 g/mol, XLogP of 2.22, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-3-[3,5-difluoro-4-[6-(3-methyl-2-oxoimidazolidin-1-yl)-3-pyridinyl]phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 56929783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).