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

C19H19FN4O4 — CID 56929782

IUPAC(5R)-3-[3-fluoro-4-[6-(3-methyl-2-oxoimidazolidin-1-yl)-3-pyridinyl]phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one
SMILESCN1CCN(c2ccc(-c3ccc(N4C[C@H](CO)OC4=O)cc3F)cn2)C1=O
InChIInChI=1S/C19H19FN4O4/c1-22-6-7-23(18(22)26)17-5-2-12(9-21-17)15-4-3-13(8-16(15)20)24-10-14(11-25)28-19(24)27/h2-5,8-9,14,25H,6-7,10-11H2,1H3/t14-/m1/s1
InChIKeyVJGXZAOIRFLSRZ-CQSZACIVSA-N
MW386.38 g/mol
LogP2.08
Rot. Bonds4

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

(5R)-3-[3-fluoro-4-[6-(3-methyl-2-oxoimidazolidin-1-yl)-3-pyridinyl]phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one (PubChem CID 56929782) has the molecular formula C19H19FN4O4 and a molecular weight of 386.38 g/mol. Its IUPAC name is (5R)-3-[3-fluoro-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-fluoro-4-[6-(3-methyl-2-oxoimidazolidin-1-yl)-3-pyridinyl]phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one
PubChem CID56929782
Molecular FormulaC19H19FN4O4
Molecular Weight386.38 g/mol
Exact Mass386.14
IUPAC Name(5R)-3-[3-fluoro-4-[6-(3-methyl-2-oxoimidazolidin-1-yl)-3-pyridinyl]phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one
SMILESCN1CCN(c2ccc(-c3ccc(N4C[C@H](CO)OC4=O)cc3F)cn2)C1=O
InChIInChI=1S/C19H19FN4O4/c1-22-6-7-23(18(22)26)17-5-2-12(9-21-17)15-4-3-13(8-16(15)20)24-10-14(11-25)28-19(24)27/h2-5,8-9,14,25H,6-7,10-11H2,1H3/t14-/m1/s1
InChIKeyVJGXZAOIRFLSRZ-CQSZACIVSA-N
XLogP2.08
TPSA86.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.38
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (5R)-3-[3-fluoro-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-fluoro-4-[6-(3-methyl-2-oxoimidazolidin-1-yl)-3-pyridinyl]phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one (CID 56929782) is (5R)-3-[3-fluoro-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-fluoro-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-fluoro-4-[6-(3-methyl-2-oxoimidazolidin-1-yl)-3-pyridinyl]phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one is CN1CCN(c2ccc(-c3ccc(N4C[C@H](CO)OC4=O)cc3F)cn2)C1=O.
What is the InChIKey of (5R)-3-[3-fluoro-4-[6-(3-methyl-2-oxoimidazolidin-1-yl)-3-pyridinyl]phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one?
The InChIKey is VJGXZAOIRFLSRZ-CQSZACIVSA-N. The full InChI is InChI=1S/C19H19FN4O4/c1-22-6-7-23(18(22)26)17-5-2-12(9-21-17)15-4-3-13(8-16(15)20)24-10-14(11-25)28-19(24)27/h2-5,8-9,14,25H,6-7,10-11H2,1H3/t14-/m1/s1.
What are the key properties of (5R)-3-[3-fluoro-4-[6-(3-methyl-2-oxoimidazolidin-1-yl)-3-pyridinyl]phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one?
(5R)-3-[3-fluoro-4-[6-(3-methyl-2-oxoimidazolidin-1-yl)-3-pyridinyl]phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one has a molecular weight of 386.38 g/mol, XLogP of 2.08, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-3-[3-fluoro-4-[6-(3-methyl-2-oxoimidazolidin-1-yl)-3-pyridinyl]phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 56929782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).