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

C21H17F2N3O3S — CID 11510225

IUPACN-[[(5S)-3-[3-fluoro-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(c2ccc(-c3ccc(-c4nccs4)c(F)c3)c(F)c2)C(=O)O1
InChIInChI=1S/C21H17F2N3O3S/c1-12(27)25-10-15-11-26(21(28)29-15)14-3-5-16(19(23)9-14)13-2-4-17(18(22)8-13)20-24-6-7-30-20/h2-9,15H,10-11H2,1H3,(H,25,27)/t15-/m0/s1
InChIKeySAPAVIPAETVHNQ-HNNXBMFYSA-N
MW429.45 g/mol
LogP4.22
Rot. Bonds5

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

N-[[(5S)-3-[3-fluoro-4-[3-fluoro-4-(1,3-thiazol-2-yl)phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (PubChem CID 11510225) has the molecular formula C21H17F2N3O3S and a molecular weight of 429.45 g/mol. Its IUPAC name is N-[[(5S)-3-[3-fluoro-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-fluoro-4-[3-fluoro-4-(1,3-thiazol-2-yl)phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
PubChem CID11510225
Molecular FormulaC21H17F2N3O3S
Molecular Weight429.45 g/mol
Exact Mass429.10
IUPAC NameN-[[(5S)-3-[3-fluoro-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(c2ccc(-c3ccc(-c4nccs4)c(F)c3)c(F)c2)C(=O)O1
InChIInChI=1S/C21H17F2N3O3S/c1-12(27)25-10-15-11-26(21(28)29-15)14-3-5-16(19(23)9-14)13-2-4-17(18(22)8-13)20-24-6-7-30-20/h2-9,15H,10-11H2,1H3,(H,25,27)/t15-/m0/s1
InChIKeySAPAVIPAETVHNQ-HNNXBMFYSA-N
XLogP4.22
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.45
LogP ≤ 54.22
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-[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-fluoro-4-[3-fluoro-4-(1,3-thiazol-2-yl)phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (CID 11510225) is N-[[(5S)-3-[3-fluoro-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-fluoro-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-fluoro-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(c2ccc(-c3ccc(-c4nccs4)c(F)c3)c(F)c2)C(=O)O1.
What is the InChIKey of N-[[(5S)-3-[3-fluoro-4-[3-fluoro-4-(1,3-thiazol-2-yl)phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The InChIKey is SAPAVIPAETVHNQ-HNNXBMFYSA-N. The full InChI is InChI=1S/C21H17F2N3O3S/c1-12(27)25-10-15-11-26(21(28)29-15)14-3-5-16(19(23)9-14)13-2-4-17(18(22)8-13)20-24-6-7-30-20/h2-9,15H,10-11H2,1H3,(H,25,27)/t15-/m0/s1.
What are the key properties of N-[[(5S)-3-[3-fluoro-4-[3-fluoro-4-(1,3-thiazol-2-yl)phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
N-[[(5S)-3-[3-fluoro-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 429.45 g/mol, XLogP of 4.22, 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-fluoro-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 11510225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).