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

C23H23FN4O3S — CID 23404014

IUPACN-[[(5S)-3-[3-fluoro-4-[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)cc3)c(F)c2)C(=O)O1
InChIInChI=1S/C23H23FN4O3S/c1-15(29)27-12-19-14-28(23(30)31-19)18-6-7-20(21(24)10-18)17-4-2-16(3-5-17)11-25-13-22-26-8-9-32-22/h2-10,19,25H,11-14H2,1H3,(H,27,29)/t19-/m0/s1
InChIKeyLYDHEMIZPOZZRL-IBGZPJMESA-N
MW454.53 g/mol
LogP3.70
Rot. Bonds8

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

N-[[(5S)-3-[3-fluoro-4-[4-[(1,3-thiazol-2-ylmethylamino)methyl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (PubChem CID 23404014) has the molecular formula C23H23FN4O3S and a molecular weight of 454.53 g/mol. Its IUPAC name is N-[[(5S)-3-[3-fluoro-4-[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-[4-[(1,3-thiazol-2-ylmethylamino)methyl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
PubChem CID23404014
Molecular FormulaC23H23FN4O3S
Molecular Weight454.53 g/mol
Exact Mass454.15
IUPAC NameN-[[(5S)-3-[3-fluoro-4-[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)cc3)c(F)c2)C(=O)O1
InChIInChI=1S/C23H23FN4O3S/c1-15(29)27-12-19-14-28(23(30)31-19)18-6-7-20(21(24)10-18)17-4-2-16(3-5-17)11-25-13-22-26-8-9-32-22/h2-10,19,25H,11-14H2,1H3,(H,27,29)/t19-/m0/s1
InChIKeyLYDHEMIZPOZZRL-IBGZPJMESA-N
XLogP3.70
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.53
LogP ≤ 53.70
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-[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-[4-[(1,3-thiazol-2-ylmethylamino)methyl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (CID 23404014) is N-[[(5S)-3-[3-fluoro-4-[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-[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-[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)cc3)c(F)c2)C(=O)O1.
What is the InChIKey of N-[[(5S)-3-[3-fluoro-4-[4-[(1,3-thiazol-2-ylmethylamino)methyl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The InChIKey is LYDHEMIZPOZZRL-IBGZPJMESA-N. The full InChI is InChI=1S/C23H23FN4O3S/c1-15(29)27-12-19-14-28(23(30)31-19)18-6-7-20(21(24)10-18)17-4-2-16(3-5-17)11-25-13-22-26-8-9-32-22/h2-10,19,25H,11-14H2,1H3,(H,27,29)/t19-/m0/s1.
What are the key properties of N-[[(5S)-3-[3-fluoro-4-[4-[(1,3-thiazol-2-ylmethylamino)methyl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
N-[[(5S)-3-[3-fluoro-4-[4-[(1,3-thiazol-2-ylmethylamino)methyl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide has a molecular weight of 454.53 g/mol, XLogP of 3.70, 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-[4-[(1,3-thiazol-2-ylmethylamino)methyl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is sourced from PubChem (CID 23404014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).