N-[[(5S)-3-[3-fluoro-4-[4-[3-(1,3-thiazol-2-yl)propyl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide

C24H24FN3O3S — CID 58045539

IUPACN-[[(5S)-3-[3-fluoro-4-[4-[3-(1,3-thiazol-2-yl)propyl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESCC(=O)NC[C@H]1CN(c2ccc(-c3ccc(CCCc4nccs4)cc3)c(F)c2)C(=O)O1
InChIInChI=1S/C24H24FN3O3S/c1-16(29)27-14-20-15-28(24(30)31-20)19-9-10-21(22(25)13-19)18-7-5-17(6-8-18)3-2-4-23-26-11-12-32-23/h5-13,20H,2-4,14-15H2,1H3,(H,27,29)/t20-/m0/s1
InChIKeyOBELJVWSOJKTEN-FQEVSTJZSA-N
MW453.54 g/mol
LogP4.59
Rot. Bonds8

About N-[[(5S)-3-[3-fluoro-4-[4-[3-(1,3-thiazol-2-yl)propyl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide

N-[[(5S)-3-[3-fluoro-4-[4-[3-(1,3-thiazol-2-yl)propyl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (PubChem CID 58045539) has the molecular formula C24H24FN3O3S and a molecular weight of 453.54 g/mol. Its IUPAC name is N-[[(5S)-3-[3-fluoro-4-[4-[3-(1,3-thiazol-2-yl)propyl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[(5S)-3-[3-fluoro-4-[4-[3-(1,3-thiazol-2-yl)propyl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
PubChem CID58045539
Molecular FormulaC24H24FN3O3S
Molecular Weight453.54 g/mol
Exact Mass453.15
IUPAC NameN-[[(5S)-3-[3-fluoro-4-[4-[3-(1,3-thiazol-2-yl)propyl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESCC(=O)NC[C@H]1CN(c2ccc(-c3ccc(CCCc4nccs4)cc3)c(F)c2)C(=O)O1
InChIInChI=1S/C24H24FN3O3S/c1-16(29)27-14-20-15-28(24(30)31-20)19-9-10-21(22(25)13-19)18-7-5-17(6-8-18)3-2-4-23-26-11-12-32-23/h5-13,20H,2-4,14-15H2,1H3,(H,27,29)/t20-/m0/s1
InChIKeyOBELJVWSOJKTEN-FQEVSTJZSA-N
XLogP4.59
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.54
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[(5S)-3-[3-fluoro-4-[4-[3-(1,3-thiazol-2-yl)propyl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The IUPAC name of N-[[(5S)-3-[3-fluoro-4-[4-[3-(1,3-thiazol-2-yl)propyl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (CID 58045539) is N-[[(5S)-3-[3-fluoro-4-[4-[3-(1,3-thiazol-2-yl)propyl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.
What is the SMILES notation for N-[[(5S)-3-[3-fluoro-4-[4-[3-(1,3-thiazol-2-yl)propyl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The canonical SMILES for N-[[(5S)-3-[3-fluoro-4-[4-[3-(1,3-thiazol-2-yl)propyl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is CC(=O)NC[C@H]1CN(c2ccc(-c3ccc(CCCc4nccs4)cc3)c(F)c2)C(=O)O1.
What is the InChIKey of N-[[(5S)-3-[3-fluoro-4-[4-[3-(1,3-thiazol-2-yl)propyl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The InChIKey is OBELJVWSOJKTEN-FQEVSTJZSA-N. The full InChI is InChI=1S/C24H24FN3O3S/c1-16(29)27-14-20-15-28(24(30)31-20)19-9-10-21(22(25)13-19)18-7-5-17(6-8-18)3-2-4-23-26-11-12-32-23/h5-13,20H,2-4,14-15H2,1H3,(H,27,29)/t20-/m0/s1.
What are the key properties of N-[[(5S)-3-[3-fluoro-4-[4-[3-(1,3-thiazol-2-yl)propyl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
N-[[(5S)-3-[3-fluoro-4-[4-[3-(1,3-thiazol-2-yl)propyl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide has a molecular weight of 453.54 g/mol, XLogP of 4.59, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(5S)-3-[3-fluoro-4-[4-[3-(1,3-thiazol-2-yl)propyl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is sourced from PubChem (CID 58045539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).