(5R)-5-[[benzyl-[(3,4-difluorophenyl)methyl]amino]methyl]-3-methyl-1,3-oxazolidin-2-one

C19H20F2N2O2 — CID 24752749

IUPAC(5R)-5-[[benzyl-[(3,4-difluorophenyl)methyl]amino]methyl]-3-methyl-1,3-oxazolidin-2-one
SMILESCN1C[C@@H](CN(Cc2ccccc2)Cc2ccc(F)c(F)c2)OC1=O
InChIInChI=1S/C19H20F2N2O2/c1-22-12-16(25-19(22)24)13-23(10-14-5-3-2-4-6-14)11-15-7-8-17(20)18(21)9-15/h2-9,16H,10-13H2,1H3/t16-/m0/s1
InChIKeyKCIWLZVKACTOBN-INIZCTEOSA-N
MW346.38 g/mol
LogP3.42
Rot. Bonds6

About (5R)-5-[[benzyl-[(3,4-difluorophenyl)methyl]amino]methyl]-3-methyl-1,3-oxazolidin-2-one

(5R)-5-[[benzyl-[(3,4-difluorophenyl)methyl]amino]methyl]-3-methyl-1,3-oxazolidin-2-one (PubChem CID 24752749) has the molecular formula C19H20F2N2O2 and a molecular weight of 346.38 g/mol. Its IUPAC name is (5R)-5-[[benzyl-[(3,4-difluorophenyl)methyl]amino]methyl]-3-methyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(5R)-5-[[benzyl-[(3,4-difluorophenyl)methyl]amino]methyl]-3-methyl-1,3-oxazolidin-2-one
PubChem CID24752749
Molecular FormulaC19H20F2N2O2
Molecular Weight346.38 g/mol
Exact Mass346.15
IUPAC Name(5R)-5-[[benzyl-[(3,4-difluorophenyl)methyl]amino]methyl]-3-methyl-1,3-oxazolidin-2-one
SMILESCN1C[C@@H](CN(Cc2ccccc2)Cc2ccc(F)c(F)c2)OC1=O
InChIInChI=1S/C19H20F2N2O2/c1-22-12-16(25-19(22)24)13-23(10-14-5-3-2-4-6-14)11-15-7-8-17(20)18(21)9-15/h2-9,16H,10-13H2,1H3/t16-/m0/s1
InChIKeyKCIWLZVKACTOBN-INIZCTEOSA-N
XLogP3.42
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.38
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5R)-5-[[benzyl-[(3,4-difluorophenyl)methyl]amino]methyl]-3-methyl-1,3-oxazolidin-2-one?
The IUPAC name of (5R)-5-[[benzyl-[(3,4-difluorophenyl)methyl]amino]methyl]-3-methyl-1,3-oxazolidin-2-one (CID 24752749) is (5R)-5-[[benzyl-[(3,4-difluorophenyl)methyl]amino]methyl]-3-methyl-1,3-oxazolidin-2-one.
What is the SMILES notation for (5R)-5-[[benzyl-[(3,4-difluorophenyl)methyl]amino]methyl]-3-methyl-1,3-oxazolidin-2-one?
The canonical SMILES for (5R)-5-[[benzyl-[(3,4-difluorophenyl)methyl]amino]methyl]-3-methyl-1,3-oxazolidin-2-one is CN1C[C@@H](CN(Cc2ccccc2)Cc2ccc(F)c(F)c2)OC1=O.
What is the InChIKey of (5R)-5-[[benzyl-[(3,4-difluorophenyl)methyl]amino]methyl]-3-methyl-1,3-oxazolidin-2-one?
The InChIKey is KCIWLZVKACTOBN-INIZCTEOSA-N. The full InChI is InChI=1S/C19H20F2N2O2/c1-22-12-16(25-19(22)24)13-23(10-14-5-3-2-4-6-14)11-15-7-8-17(20)18(21)9-15/h2-9,16H,10-13H2,1H3/t16-/m0/s1.
What are the key properties of (5R)-5-[[benzyl-[(3,4-difluorophenyl)methyl]amino]methyl]-3-methyl-1,3-oxazolidin-2-one?
(5R)-5-[[benzyl-[(3,4-difluorophenyl)methyl]amino]methyl]-3-methyl-1,3-oxazolidin-2-one has a molecular weight of 346.38 g/mol, XLogP of 3.42, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-[[benzyl-[(3,4-difluorophenyl)methyl]amino]methyl]-3-methyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 24752749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).