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

C21H16F3N3O3S — CID 11496049

IUPACN-[[(5S)-3-[3,5-difluoro-4-[3-fluoro-4-(1,3-thiazol-2-yl)phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESCC(=O)NC[C@H]1CN(c2cc(F)c(-c3ccc(-c4nccs4)c(F)c3)c(F)c2)C(=O)O1
InChIInChI=1S/C21H16F3N3O3S/c1-11(28)26-9-14-10-27(21(29)30-14)13-7-17(23)19(18(24)8-13)12-2-3-15(16(22)6-12)20-25-4-5-31-20/h2-8,14H,9-10H2,1H3,(H,26,28)/t14-/m0/s1
InChIKeyXALXZLULKPNINW-AWEZNQCLSA-N
MW447.44 g/mol
LogP4.36
Rot. Bonds5

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

N-[[(5S)-3-[3,5-difluoro-4-[3-fluoro-4-(1,3-thiazol-2-yl)phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (PubChem CID 11496049) has the molecular formula C21H16F3N3O3S and a molecular weight of 447.44 g/mol. Its IUPAC name is N-[[(5S)-3-[3,5-difluoro-4-[3-fluoro-4-(1,3-thiazol-2-yl)phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[(5S)-3-[3,5-difluoro-4-[3-fluoro-4-(1,3-thiazol-2-yl)phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
PubChem CID11496049
Molecular FormulaC21H16F3N3O3S
Molecular Weight447.44 g/mol
Exact Mass447.09
IUPAC NameN-[[(5S)-3-[3,5-difluoro-4-[3-fluoro-4-(1,3-thiazol-2-yl)phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESCC(=O)NC[C@H]1CN(c2cc(F)c(-c3ccc(-c4nccs4)c(F)c3)c(F)c2)C(=O)O1
InChIInChI=1S/C21H16F3N3O3S/c1-11(28)26-9-14-10-27(21(29)30-14)13-7-17(23)19(18(24)8-13)12-2-3-15(16(22)6-12)20-25-4-5-31-20/h2-8,14H,9-10H2,1H3,(H,26,28)/t14-/m0/s1
InChIKeyXALXZLULKPNINW-AWEZNQCLSA-N
XLogP4.36
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.44
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Frequently Asked Questions

What is the IUPAC name of N-[[(5S)-3-[3,5-difluoro-4-[3-fluoro-4-(1,3-thiazol-2-yl)phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The IUPAC name of N-[[(5S)-3-[3,5-difluoro-4-[3-fluoro-4-(1,3-thiazol-2-yl)phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (CID 11496049) is N-[[(5S)-3-[3,5-difluoro-4-[3-fluoro-4-(1,3-thiazol-2-yl)phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.
What is the SMILES notation for N-[[(5S)-3-[3,5-difluoro-4-[3-fluoro-4-(1,3-thiazol-2-yl)phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The canonical SMILES for N-[[(5S)-3-[3,5-difluoro-4-[3-fluoro-4-(1,3-thiazol-2-yl)phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is CC(=O)NC[C@H]1CN(c2cc(F)c(-c3ccc(-c4nccs4)c(F)c3)c(F)c2)C(=O)O1.
What is the InChIKey of N-[[(5S)-3-[3,5-difluoro-4-[3-fluoro-4-(1,3-thiazol-2-yl)phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The InChIKey is XALXZLULKPNINW-AWEZNQCLSA-N. The full InChI is InChI=1S/C21H16F3N3O3S/c1-11(28)26-9-14-10-27(21(29)30-14)13-7-17(23)19(18(24)8-13)12-2-3-15(16(22)6-12)20-25-4-5-31-20/h2-8,14H,9-10H2,1H3,(H,26,28)/t14-/m0/s1.
What are the key properties of N-[[(5S)-3-[3,5-difluoro-4-[3-fluoro-4-(1,3-thiazol-2-yl)phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
N-[[(5S)-3-[3,5-difluoro-4-[3-fluoro-4-(1,3-thiazol-2-yl)phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide has a molecular weight of 447.44 g/mol, XLogP of 4.36, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(5S)-3-[3,5-difluoro-4-[3-fluoro-4-(1,3-thiazol-2-yl)phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is sourced from PubChem (CID 11496049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).