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

C21H18F2N4O4 — CID 11546424

IUPACN-[[(5S)-3-[3-fluoro-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(c2ccc(-c3ccc(-c4nnc(C)o4)c(F)c3)c(F)c2)C(=O)O1
InChIInChI=1S/C21H18F2N4O4/c1-11(28)24-9-15-10-27(21(29)31-15)14-4-6-16(19(23)8-14)13-3-5-17(18(22)7-13)20-26-25-12(2)30-20/h3-8,15H,9-10H2,1-2H3,(H,24,28)/t15-/m0/s1
InChIKeyYSHXZFDQMGYEAC-HNNXBMFYSA-N
MW428.40 g/mol
LogP3.45
Rot. Bonds5

About N-[[(5S)-3-[3-fluoro-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-fluoro-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 11546424) has the molecular formula C21H18F2N4O4 and a molecular weight of 428.40 g/mol. Its IUPAC name is N-[[(5S)-3-[3-fluoro-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-fluoro-4-[3-fluoro-4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
PubChem CID11546424
Molecular FormulaC21H18F2N4O4
Molecular Weight428.40 g/mol
Exact Mass428.13
IUPAC NameN-[[(5S)-3-[3-fluoro-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(c2ccc(-c3ccc(-c4nnc(C)o4)c(F)c3)c(F)c2)C(=O)O1
InChIInChI=1S/C21H18F2N4O4/c1-11(28)24-9-15-10-27(21(29)31-15)14-4-6-16(19(23)8-14)13-3-5-17(18(22)7-13)20-26-25-12(2)30-20/h3-8,15H,9-10H2,1-2H3,(H,24,28)/t15-/m0/s1
InChIKeyYSHXZFDQMGYEAC-HNNXBMFYSA-N
XLogP3.45
TPSA97.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.40
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[(5S)-3-[3-fluoro-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-fluoro-4-[3-fluoro-4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (CID 11546424) is N-[[(5S)-3-[3-fluoro-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-fluoro-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-fluoro-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(c2ccc(-c3ccc(-c4nnc(C)o4)c(F)c3)c(F)c2)C(=O)O1.
What is the InChIKey of N-[[(5S)-3-[3-fluoro-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 YSHXZFDQMGYEAC-HNNXBMFYSA-N. The full InChI is InChI=1S/C21H18F2N4O4/c1-11(28)24-9-15-10-27(21(29)31-15)14-4-6-16(19(23)8-14)13-3-5-17(18(22)7-13)20-26-25-12(2)30-20/h3-8,15H,9-10H2,1-2H3,(H,24,28)/t15-/m0/s1.
What are the key properties of N-[[(5S)-3-[3-fluoro-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-fluoro-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 428.40 g/mol, XLogP of 3.45, 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-fluoro-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 11546424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).