2-pyridin-2-ylethyl 1-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]imidazole-4-carboxylate

C23H22FN5O5 — CID 59924366

IUPAC2-pyridin-2-ylethyl 1-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]imidazole-4-carboxylate
SMILESCC(=O)NC[C@H]1CN(c2ccc(-n3cnc(C(=O)OCCc4ccccn4)c3)c(F)c2)C(=O)O1
InChIInChI=1S/C23H22FN5O5/c1-15(30)26-11-18-12-29(23(32)34-18)17-5-6-21(19(24)10-17)28-13-20(27-14-28)22(31)33-9-7-16-4-2-3-8-25-16/h2-6,8,10,13-14,18H,7,9,11-12H2,1H3,(H,26,30)/t18-/m0/s1
InChIKeyFJJCRPMTEPRZNU-SFHVURJKSA-N
MW467.46 g/mol
LogP2.27
Rot. Bonds8

About 2-pyridin-2-ylethyl 1-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]imidazole-4-carboxylate

2-pyridin-2-ylethyl 1-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]imidazole-4-carboxylate (PubChem CID 59924366) has the molecular formula C23H22FN5O5 and a molecular weight of 467.46 g/mol. Its IUPAC name is 2-pyridin-2-ylethyl 1-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]imidazole-4-carboxylate.

Molecular Properties

Compound Name2-pyridin-2-ylethyl 1-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]imidazole-4-carboxylate
PubChem CID59924366
Molecular FormulaC23H22FN5O5
Molecular Weight467.46 g/mol
Exact Mass467.16
IUPAC Name2-pyridin-2-ylethyl 1-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]imidazole-4-carboxylate
SMILESCC(=O)NC[C@H]1CN(c2ccc(-n3cnc(C(=O)OCCc4ccccn4)c3)c(F)c2)C(=O)O1
InChIInChI=1S/C23H22FN5O5/c1-15(30)26-11-18-12-29(23(32)34-18)17-5-6-21(19(24)10-17)28-13-20(27-14-28)22(31)33-9-7-16-4-2-3-8-25-16/h2-6,8,10,13-14,18H,7,9,11-12H2,1H3,(H,26,30)/t18-/m0/s1
InChIKeyFJJCRPMTEPRZNU-SFHVURJKSA-N
XLogP2.27
TPSA115.65 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.46
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-[[(5S)-3-[3-fluoro-4-[4-(2-pyridin-2-ylethenyl)imidazol-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 57235679
N-[[3-[3-fluoro-4-[4-[(pyrimidin-2-ylamino)methyl]imidazol-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 18340258
N-[[(5S)-3-[4-(4-cyanoimidazol-1-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 10497540
N-[[3-[4-(4-ethynylimidazol-1-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 21255482
1-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-N-(5-bromo-2-pyridinyl)imidazole-4-carboxamide
CID 59924346
1-[4-[5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-N-(4-methyl-6-oxo-1H-pyrimidin-2-yl)imidazole-4-carboxamide
CID 135682114
N-[[(5S)-3-[3-fluoro-4-[4-(4-pyridin-2-ylbutyl)phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 58045416
N-[[3-[3-fluoro-4-[4-[(1-methylimidazol-2-yl)sulfanylmethyl]imidazol-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 18378813
N-[[3-[3-fluoro-4-[4-[[(5-fluoro-2-pyridinyl)amino]methyl]imidazol-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 18340252
N-[[3-[3-fluoro-4-(5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 22087066
N-[[(5S)-3-[4-(3,4-dihydroxypyrrolidin-1-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 86725189
N-[[3-[4-[4-[cyano(pyridin-2-yl)methylidene]piperidin-1-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 69310459

Frequently Asked Questions

What is the IUPAC name of 2-pyridin-2-ylethyl 1-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]imidazole-4-carboxylate?
The IUPAC name of 2-pyridin-2-ylethyl 1-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]imidazole-4-carboxylate (CID 59924366) is 2-pyridin-2-ylethyl 1-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]imidazole-4-carboxylate.
What is the SMILES notation for 2-pyridin-2-ylethyl 1-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]imidazole-4-carboxylate?
The canonical SMILES for 2-pyridin-2-ylethyl 1-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]imidazole-4-carboxylate is CC(=O)NC[C@H]1CN(c2ccc(-n3cnc(C(=O)OCCc4ccccn4)c3)c(F)c2)C(=O)O1.
What is the InChIKey of 2-pyridin-2-ylethyl 1-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]imidazole-4-carboxylate?
The InChIKey is FJJCRPMTEPRZNU-SFHVURJKSA-N. The full InChI is InChI=1S/C23H22FN5O5/c1-15(30)26-11-18-12-29(23(32)34-18)17-5-6-21(19(24)10-17)28-13-20(27-14-28)22(31)33-9-7-16-4-2-3-8-25-16/h2-6,8,10,13-14,18H,7,9,11-12H2,1H3,(H,26,30)/t18-/m0/s1.
What are the key properties of 2-pyridin-2-ylethyl 1-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]imidazole-4-carboxylate?
2-pyridin-2-ylethyl 1-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]imidazole-4-carboxylate has a molecular weight of 467.46 g/mol, XLogP of 2.27, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-2-ylethyl 1-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]imidazole-4-carboxylate is sourced from PubChem (CID 59924366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).