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

C23H22F2N4O3S — CID 23403831

IUPACN-[[(5S)-3-[3-fluoro-4-[3-fluoro-4-[(1,3-thiazol-2-ylmethylamino)methyl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESCC(=O)NC[C@H]1CN(c2ccc(-c3ccc(CNCc4nccs4)c(F)c3)c(F)c2)C(=O)O1
InChIInChI=1S/C23H22F2N4O3S/c1-14(30)28-11-18-13-29(23(31)32-18)17-4-5-19(21(25)9-17)15-2-3-16(20(24)8-15)10-26-12-22-27-6-7-33-22/h2-9,18,26H,10-13H2,1H3,(H,28,30)/t18-/m0/s1
InChIKeySWVBEZMIBYYUGJ-SFHVURJKSA-N
MW472.52 g/mol
LogP3.84
Rot. Bonds8

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

N-[[(5S)-3-[3-fluoro-4-[3-fluoro-4-[(1,3-thiazol-2-ylmethylamino)methyl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (PubChem CID 23403831) has the molecular formula C23H22F2N4O3S and a molecular weight of 472.52 g/mol. Its IUPAC name is N-[[(5S)-3-[3-fluoro-4-[3-fluoro-4-[(1,3-thiazol-2-ylmethylamino)methyl]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-ylmethylamino)methyl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
PubChem CID23403831
Molecular FormulaC23H22F2N4O3S
Molecular Weight472.52 g/mol
Exact Mass472.14
IUPAC NameN-[[(5S)-3-[3-fluoro-4-[3-fluoro-4-[(1,3-thiazol-2-ylmethylamino)methyl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESCC(=O)NC[C@H]1CN(c2ccc(-c3ccc(CNCc4nccs4)c(F)c3)c(F)c2)C(=O)O1
InChIInChI=1S/C23H22F2N4O3S/c1-14(30)28-11-18-13-29(23(31)32-18)17-4-5-19(21(25)9-17)15-2-3-16(20(24)8-15)10-26-12-22-27-6-7-33-22/h2-9,18,26H,10-13H2,1H3,(H,28,30)/t18-/m0/s1
InChIKeySWVBEZMIBYYUGJ-SFHVURJKSA-N
XLogP3.84
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.52
LogP ≤ 53.84
H-Bond Donors ≤ 52
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-[(1,3-thiazol-2-ylmethylamino)methyl]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-ylmethylamino)methyl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (CID 23403831) is N-[[(5S)-3-[3-fluoro-4-[3-fluoro-4-[(1,3-thiazol-2-ylmethylamino)methyl]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-ylmethylamino)methyl]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-ylmethylamino)methyl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is CC(=O)NC[C@H]1CN(c2ccc(-c3ccc(CNCc4nccs4)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-ylmethylamino)methyl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The InChIKey is SWVBEZMIBYYUGJ-SFHVURJKSA-N. The full InChI is InChI=1S/C23H22F2N4O3S/c1-14(30)28-11-18-13-29(23(31)32-18)17-4-5-19(21(25)9-17)15-2-3-16(20(24)8-15)10-26-12-22-27-6-7-33-22/h2-9,18,26H,10-13H2,1H3,(H,28,30)/t18-/m0/s1.
What are the key properties of N-[[(5S)-3-[3-fluoro-4-[3-fluoro-4-[(1,3-thiazol-2-ylmethylamino)methyl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
N-[[(5S)-3-[3-fluoro-4-[3-fluoro-4-[(1,3-thiazol-2-ylmethylamino)methyl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide has a molecular weight of 472.52 g/mol, XLogP of 3.84, 8 rotatable bonds, 2 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-[(1,3-thiazol-2-ylmethylamino)methyl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is sourced from PubChem (CID 23403831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).