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

C21H17F3N4O4 — CID 11633703

IUPACN-[[(5S)-3-[3,5-difluoro-4-[3-fluoro-4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESCC(=O)NC[C@H]1CN(c2cc(F)c(-c3ccc(-c4nnc(C)o4)c(F)c3)c(F)c2)C(=O)O1
InChIInChI=1S/C21H17F3N4O4/c1-10(29)25-8-14-9-28(21(30)32-14)13-6-17(23)19(18(24)7-13)12-3-4-15(16(22)5-12)20-27-26-11(2)31-20/h3-7,14H,8-9H2,1-2H3,(H,25,29)/t14-/m0/s1
InChIKeyNLKUAOLDFSCTEV-AWEZNQCLSA-N
MW446.39 g/mol
LogP3.59
Rot. Bonds5

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

N-[[(5S)-3-[3,5-difluoro-4-[3-fluoro-4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (PubChem CID 11633703) has the molecular formula C21H17F3N4O4 and a molecular weight of 446.39 g/mol. Its IUPAC name is N-[[(5S)-3-[3,5-difluoro-4-[3-fluoro-4-(5-methyl-1,3,4-oxadiazol-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-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
PubChem CID11633703
Molecular FormulaC21H17F3N4O4
Molecular Weight446.39 g/mol
Exact Mass446.12
IUPAC NameN-[[(5S)-3-[3,5-difluoro-4-[3-fluoro-4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESCC(=O)NC[C@H]1CN(c2cc(F)c(-c3ccc(-c4nnc(C)o4)c(F)c3)c(F)c2)C(=O)O1
InChIInChI=1S/C21H17F3N4O4/c1-10(29)25-8-14-9-28(21(30)32-14)13-6-17(23)19(18(24)7-13)12-3-4-15(16(22)5-12)20-27-26-11(2)31-20/h3-7,14H,8-9H2,1-2H3,(H,25,29)/t14-/m0/s1
InChIKeyNLKUAOLDFSCTEV-AWEZNQCLSA-N
XLogP3.59
TPSA97.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.39
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[[(5S)-3-[3,5-difluoro-4-[3-fluoro-4-(5-methyl-1,3,4-oxadiazol-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-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (CID 11633703) is N-[[(5S)-3-[3,5-difluoro-4-[3-fluoro-4-(5-methyl-1,3,4-oxadiazol-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-(5-methyl-1,3,4-oxadiazol-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-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is CC(=O)NC[C@H]1CN(c2cc(F)c(-c3ccc(-c4nnc(C)o4)c(F)c3)c(F)c2)C(=O)O1.
What is the InChIKey of N-[[(5S)-3-[3,5-difluoro-4-[3-fluoro-4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The InChIKey is NLKUAOLDFSCTEV-AWEZNQCLSA-N. The full InChI is InChI=1S/C21H17F3N4O4/c1-10(29)25-8-14-9-28(21(30)32-14)13-6-17(23)19(18(24)7-13)12-3-4-15(16(22)5-12)20-27-26-11(2)31-20/h3-7,14H,8-9H2,1-2H3,(H,25,29)/t14-/m0/s1.
What are the key properties of N-[[(5S)-3-[3,5-difluoro-4-[3-fluoro-4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
N-[[(5S)-3-[3,5-difluoro-4-[3-fluoro-4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide has a molecular weight of 446.39 g/mol, XLogP of 3.59, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(5S)-3-[3,5-difluoro-4-[3-fluoro-4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is sourced from PubChem (CID 11633703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).