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

C19H21FN2O2 — CID 24752751

IUPAC(5R)-5-[[benzyl-[(4-fluorophenyl)methyl]amino]methyl]-3-methyl-1,3-oxazolidin-2-one
SMILESCN1C[C@@H](CN(Cc2ccccc2)Cc2ccc(F)cc2)OC1=O
InChIInChI=1S/C19H21FN2O2/c1-21-13-18(24-19(21)23)14-22(11-15-5-3-2-4-6-15)12-16-7-9-17(20)10-8-16/h2-10,18H,11-14H2,1H3/t18-/m0/s1
InChIKeyBLSSJASNWSKUGF-SFHVURJKSA-N
MW328.39 g/mol
LogP3.28
Rot. Bonds6

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

(5R)-5-[[benzyl-[(4-fluorophenyl)methyl]amino]methyl]-3-methyl-1,3-oxazolidin-2-one (PubChem CID 24752751) has the molecular formula C19H21FN2O2 and a molecular weight of 328.39 g/mol. Its IUPAC name is (5R)-5-[[benzyl-[(4-fluorophenyl)methyl]amino]methyl]-3-methyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(5R)-5-[[benzyl-[(4-fluorophenyl)methyl]amino]methyl]-3-methyl-1,3-oxazolidin-2-one
PubChem CID24752751
Molecular FormulaC19H21FN2O2
Molecular Weight328.39 g/mol
Exact Mass328.16
IUPAC Name(5R)-5-[[benzyl-[(4-fluorophenyl)methyl]amino]methyl]-3-methyl-1,3-oxazolidin-2-one
SMILESCN1C[C@@H](CN(Cc2ccccc2)Cc2ccc(F)cc2)OC1=O
InChIInChI=1S/C19H21FN2O2/c1-21-13-18(24-19(21)23)14-22(11-15-5-3-2-4-6-15)12-16-7-9-17(20)10-8-16/h2-10,18H,11-14H2,1H3/t18-/m0/s1
InChIKeyBLSSJASNWSKUGF-SFHVURJKSA-N
XLogP3.28
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.39
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5R)-5-[[benzyl-[(4-fluorophenyl)methyl]amino]methyl]-3-methyl-1,3-oxazolidin-2-one?
The IUPAC name of (5R)-5-[[benzyl-[(4-fluorophenyl)methyl]amino]methyl]-3-methyl-1,3-oxazolidin-2-one (CID 24752751) is (5R)-5-[[benzyl-[(4-fluorophenyl)methyl]amino]methyl]-3-methyl-1,3-oxazolidin-2-one.
What is the SMILES notation for (5R)-5-[[benzyl-[(4-fluorophenyl)methyl]amino]methyl]-3-methyl-1,3-oxazolidin-2-one?
The canonical SMILES for (5R)-5-[[benzyl-[(4-fluorophenyl)methyl]amino]methyl]-3-methyl-1,3-oxazolidin-2-one is CN1C[C@@H](CN(Cc2ccccc2)Cc2ccc(F)cc2)OC1=O.
What is the InChIKey of (5R)-5-[[benzyl-[(4-fluorophenyl)methyl]amino]methyl]-3-methyl-1,3-oxazolidin-2-one?
The InChIKey is BLSSJASNWSKUGF-SFHVURJKSA-N. The full InChI is InChI=1S/C19H21FN2O2/c1-21-13-18(24-19(21)23)14-22(11-15-5-3-2-4-6-15)12-16-7-9-17(20)10-8-16/h2-10,18H,11-14H2,1H3/t18-/m0/s1.
What are the key properties of (5R)-5-[[benzyl-[(4-fluorophenyl)methyl]amino]methyl]-3-methyl-1,3-oxazolidin-2-one?
(5R)-5-[[benzyl-[(4-fluorophenyl)methyl]amino]methyl]-3-methyl-1,3-oxazolidin-2-one has a molecular weight of 328.39 g/mol, XLogP of 3.28, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-[[benzyl-[(4-fluorophenyl)methyl]amino]methyl]-3-methyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 24752751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).