5-[[[4-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]phenyl]methylamino]methyl]-2-methylfuran-3-carboxylic acid

C26H26FN3O6 — CID 23403825

IUPAC5-[[[4-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]phenyl]methylamino]methyl]-2-methylfuran-3-carboxylic acid
SMILESCC(=O)NC[C@H]1CN(c2ccc(-c3ccc(CNCc4cc(C(=O)O)c(C)o4)cc3)c(F)c2)C(=O)O1
InChIInChI=1S/C26H26FN3O6/c1-15-23(25(32)33)10-20(35-15)12-28-11-17-3-5-18(6-4-17)22-8-7-19(9-24(22)27)30-14-21(36-26(30)34)13-29-16(2)31/h3-10,21,28H,11-14H2,1-2H3,(H,29,31)(H,32,33)/t21-/m0/s1
InChIKeyLUSHCFCPXFPDOB-NRFANRHFSA-N
MW495.51 g/mol
LogP3.84
Rot. Bonds9

About 5-[[[4-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]phenyl]methylamino]methyl]-2-methylfuran-3-carboxylic acid

5-[[[4-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]phenyl]methylamino]methyl]-2-methylfuran-3-carboxylic acid (PubChem CID 23403825) has the molecular formula C26H26FN3O6 and a molecular weight of 495.51 g/mol. Its IUPAC name is 5-[[[4-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]phenyl]methylamino]methyl]-2-methylfuran-3-carboxylic acid.

Molecular Properties

Compound Name5-[[[4-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]phenyl]methylamino]methyl]-2-methylfuran-3-carboxylic acid
PubChem CID23403825
Molecular FormulaC26H26FN3O6
Molecular Weight495.51 g/mol
Exact Mass495.18
IUPAC Name5-[[[4-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]phenyl]methylamino]methyl]-2-methylfuran-3-carboxylic acid
SMILESCC(=O)NC[C@H]1CN(c2ccc(-c3ccc(CNCc4cc(C(=O)O)c(C)o4)cc3)c(F)c2)C(=O)O1
InChIInChI=1S/C26H26FN3O6/c1-15-23(25(32)33)10-20(35-15)12-28-11-17-3-5-18(6-4-17)22-8-7-19(9-24(22)27)30-14-21(36-26(30)34)13-29-16(2)31/h3-10,21,28H,11-14H2,1-2H3,(H,29,31)(H,32,33)/t21-/m0/s1
InChIKeyLUSHCFCPXFPDOB-NRFANRHFSA-N
XLogP3.84
TPSA121.11 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.51
LogP ≤ 53.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 5-[[[4-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]phenyl]methylamino]methyl]-2-methylfuran-3-carboxylic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[[[4-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]phenyl]methylamino]methyl]-2-methylfuran-3-carboxylic acid?
The IUPAC name of 5-[[[4-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]phenyl]methylamino]methyl]-2-methylfuran-3-carboxylic acid (CID 23403825) is 5-[[[4-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]phenyl]methylamino]methyl]-2-methylfuran-3-carboxylic acid.
What is the SMILES notation for 5-[[[4-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]phenyl]methylamino]methyl]-2-methylfuran-3-carboxylic acid?
The canonical SMILES for 5-[[[4-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]phenyl]methylamino]methyl]-2-methylfuran-3-carboxylic acid is CC(=O)NC[C@H]1CN(c2ccc(-c3ccc(CNCc4cc(C(=O)O)c(C)o4)cc3)c(F)c2)C(=O)O1.
What is the InChIKey of 5-[[[4-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]phenyl]methylamino]methyl]-2-methylfuran-3-carboxylic acid?
The InChIKey is LUSHCFCPXFPDOB-NRFANRHFSA-N. The full InChI is InChI=1S/C26H26FN3O6/c1-15-23(25(32)33)10-20(35-15)12-28-11-17-3-5-18(6-4-17)22-8-7-19(9-24(22)27)30-14-21(36-26(30)34)13-29-16(2)31/h3-10,21,28H,11-14H2,1-2H3,(H,29,31)(H,32,33)/t21-/m0/s1.
What are the key properties of 5-[[[4-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]phenyl]methylamino]methyl]-2-methylfuran-3-carboxylic acid?
5-[[[4-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]phenyl]methylamino]methyl]-2-methylfuran-3-carboxylic acid has a molecular weight of 495.51 g/mol, XLogP of 3.84, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[[4-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]phenyl]methylamino]methyl]-2-methylfuran-3-carboxylic acid is sourced from PubChem (CID 23403825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).