N-[2-[4-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]phenyl]ethyl]-4-methylthiadiazole-5-carboxamide

C24H24FN5O4S — CID 58045376

IUPACN-[2-[4-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]phenyl]ethyl]-4-methylthiadiazole-5-carboxamide
SMILESCC(=O)NC[C@H]1CN(c2ccc(-c3ccc(CCNC(=O)c4snnc4C)cc3)c(F)c2)C(=O)O1
InChIInChI=1S/C24H24FN5O4S/c1-14-22(35-29-28-14)23(32)26-10-9-16-3-5-17(6-4-16)20-8-7-18(11-21(20)25)30-13-19(34-24(30)33)12-27-15(2)31/h3-8,11,19H,9-10,12-13H2,1-2H3,(H,26,32)(H,27,31)/t19-/m0/s1
InChIKeyWCHQUPPWPZYYDD-IBGZPJMESA-N
MW497.55 g/mol
LogP3.09
Rot. Bonds8

About N-[2-[4-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]phenyl]ethyl]-4-methylthiadiazole-5-carboxamide

N-[2-[4-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]phenyl]ethyl]-4-methylthiadiazole-5-carboxamide (PubChem CID 58045376) has the molecular formula C24H24FN5O4S and a molecular weight of 497.55 g/mol. Its IUPAC name is N-[2-[4-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]phenyl]ethyl]-4-methylthiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-[4-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]phenyl]ethyl]-4-methylthiadiazole-5-carboxamide
PubChem CID58045376
Molecular FormulaC24H24FN5O4S
Molecular Weight497.55 g/mol
Exact Mass497.15
IUPAC NameN-[2-[4-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]phenyl]ethyl]-4-methylthiadiazole-5-carboxamide
SMILESCC(=O)NC[C@H]1CN(c2ccc(-c3ccc(CCNC(=O)c4snnc4C)cc3)c(F)c2)C(=O)O1
InChIInChI=1S/C24H24FN5O4S/c1-14-22(35-29-28-14)23(32)26-10-9-16-3-5-17(6-4-16)20-8-7-18(11-21(20)25)30-13-19(34-24(30)33)12-27-15(2)31/h3-8,11,19H,9-10,12-13H2,1-2H3,(H,26,32)(H,27,31)/t19-/m0/s1
InChIKeyWCHQUPPWPZYYDD-IBGZPJMESA-N
XLogP3.09
TPSA113.52 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.55
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[[(5S)-3-[3-fluoro-4-[4-[2-(3-fluoropropylamino)ethyl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 143068609
N-[[(5S)-3-[4-[4-[3-(2,4-dimethyl-1,3-thiazol-5-yl)propyl]phenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 58045382
N-[[3-[3-fluoro-4-[4-[(5-methyltetrazol-2-yl)methyl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 22274143
N-[[(5S)-3-[3-fluoro-4-[4-[3-[5-(hydroxymethyl)furan-2-yl]propyl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 58045621
N-[[(5S)-3-[3-fluoro-4-[4-[3-(2H-tetrazol-5-yl)propyl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 58045423
N-[[3-(3-fluoro-4-pyridin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 10381901
N-[[3-[3-fluoro-4-[4-[2-(2H-triazol-4-ylmethylamino)ethyl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 66883412
N-[[(5S)-3-[3-fluoro-4-[4-(3-pyridin-4-ylpropanoyl)phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 58045463
N-[[3-[3-fluoro-4-[1-[(4-methylphenyl)methyl]pyridin-1-ium-4-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide bromide
CID 175567846
strontium;N-[[(5S)-3-[3-fluoro-4-(4-methanidylphenyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide;hydride
CID 173478166
N-[[3-[3-fluoro-4-[4-[2-(triazol-1-yl)ethyl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 22274316
N-[[3-[3-fluoro-4-[4-(pyrrolidin-1-ylmethyl)phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 22274293

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]phenyl]ethyl]-4-methylthiadiazole-5-carboxamide?
The IUPAC name of N-[2-[4-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]phenyl]ethyl]-4-methylthiadiazole-5-carboxamide (CID 58045376) is N-[2-[4-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]phenyl]ethyl]-4-methylthiadiazole-5-carboxamide.
What is the SMILES notation for N-[2-[4-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]phenyl]ethyl]-4-methylthiadiazole-5-carboxamide?
The canonical SMILES for N-[2-[4-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]phenyl]ethyl]-4-methylthiadiazole-5-carboxamide is CC(=O)NC[C@H]1CN(c2ccc(-c3ccc(CCNC(=O)c4snnc4C)cc3)c(F)c2)C(=O)O1.
What is the InChIKey of N-[2-[4-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]phenyl]ethyl]-4-methylthiadiazole-5-carboxamide?
The InChIKey is WCHQUPPWPZYYDD-IBGZPJMESA-N. The full InChI is InChI=1S/C24H24FN5O4S/c1-14-22(35-29-28-14)23(32)26-10-9-16-3-5-17(6-4-16)20-8-7-18(11-21(20)25)30-13-19(34-24(30)33)12-27-15(2)31/h3-8,11,19H,9-10,12-13H2,1-2H3,(H,26,32)(H,27,31)/t19-/m0/s1.
What are the key properties of N-[2-[4-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]phenyl]ethyl]-4-methylthiadiazole-5-carboxamide?
N-[2-[4-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]phenyl]ethyl]-4-methylthiadiazole-5-carboxamide has a molecular weight of 497.55 g/mol, XLogP of 3.09, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]phenyl]ethyl]-4-methylthiadiazole-5-carboxamide is sourced from PubChem (CID 58045376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).