2-benzylsulfanyl-N-[[3-(4-fluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide

C19H19FN2O3S — CID 16920792

IUPAC2-benzylsulfanyl-N-[[3-(4-fluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESO=C(CSCc1ccccc1)NCC1CN(c2ccc(F)cc2)C(=O)O1
InChIInChI=1S/C19H19FN2O3S/c20-15-6-8-16(9-7-15)22-11-17(25-19(22)24)10-21-18(23)13-26-12-14-4-2-1-3-5-14/h1-9,17H,10-13H2,(H,21,23)
InChIKeyBGJZJJVGACRDPR-UHFFFAOYSA-N
MW374.44 g/mol
LogP3.20
Rot. Bonds7

About 2-benzylsulfanyl-N-[[3-(4-fluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide

2-benzylsulfanyl-N-[[3-(4-fluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (PubChem CID 16920792) has the molecular formula C19H19FN2O3S and a molecular weight of 374.44 g/mol. Its IUPAC name is 2-benzylsulfanyl-N-[[3-(4-fluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.

Molecular Properties

Compound Name2-benzylsulfanyl-N-[[3-(4-fluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
PubChem CID16920792
Molecular FormulaC19H19FN2O3S
Molecular Weight374.44 g/mol
Exact Mass374.11
IUPAC Name2-benzylsulfanyl-N-[[3-(4-fluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESO=C(CSCc1ccccc1)NCC1CN(c2ccc(F)cc2)C(=O)O1
InChIInChI=1S/C19H19FN2O3S/c20-15-6-8-16(9-7-15)22-11-17(25-19(22)24)10-21-18(23)13-26-12-14-4-2-1-3-5-14/h1-9,17H,10-13H2,(H,21,23)
InChIKeyBGJZJJVGACRDPR-UHFFFAOYSA-N
XLogP3.20
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-benzylsulfanyl-N-[[3-(4-fluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The IUPAC name of 2-benzylsulfanyl-N-[[3-(4-fluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (CID 16920792) is 2-benzylsulfanyl-N-[[3-(4-fluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.
What is the SMILES notation for 2-benzylsulfanyl-N-[[3-(4-fluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The canonical SMILES for 2-benzylsulfanyl-N-[[3-(4-fluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is O=C(CSCc1ccccc1)NCC1CN(c2ccc(F)cc2)C(=O)O1.
What is the InChIKey of 2-benzylsulfanyl-N-[[3-(4-fluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The InChIKey is BGJZJJVGACRDPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN2O3S/c20-15-6-8-16(9-7-15)22-11-17(25-19(22)24)10-21-18(23)13-26-12-14-4-2-1-3-5-14/h1-9,17H,10-13H2,(H,21,23).
What are the key properties of 2-benzylsulfanyl-N-[[3-(4-fluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
2-benzylsulfanyl-N-[[3-(4-fluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide has a molecular weight of 374.44 g/mol, XLogP of 3.20, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzylsulfanyl-N-[[3-(4-fluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is sourced from PubChem (CID 16920792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).