N-[[3-[4-[4-[[(5-aminofuran-2-yl)methylamino]methyl]phenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide

C24H25FN4O4 — CID 145082264

IUPACN-[[3-[4-[4-[[(5-aminofuran-2-yl)methylamino]methyl]phenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESCC(=O)NCC1CN(c2ccc(-c3ccc(CNCc4ccc(N)o4)cc3)c(F)c2)C(=O)O1
InChIInChI=1S/C24H25FN4O4/c1-15(30)28-13-20-14-29(24(31)33-20)18-6-8-21(22(25)10-18)17-4-2-16(3-5-17)11-27-12-19-7-9-23(26)32-19/h2-10,20,27H,11-14,26H2,1H3,(H,28,30)
InChIKeyOEIDZRUSUFDGLX-UHFFFAOYSA-N
MW452.49 g/mol
LogP3.42
Rot. Bonds8

About N-[[3-[4-[4-[[(5-aminofuran-2-yl)methylamino]methyl]phenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide

N-[[3-[4-[4-[[(5-aminofuran-2-yl)methylamino]methyl]phenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (PubChem CID 145082264) has the molecular formula C24H25FN4O4 and a molecular weight of 452.49 g/mol. Its IUPAC name is N-[[3-[4-[4-[[(5-aminofuran-2-yl)methylamino]methyl]phenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[3-[4-[4-[[(5-aminofuran-2-yl)methylamino]methyl]phenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
PubChem CID145082264
Molecular FormulaC24H25FN4O4
Molecular Weight452.49 g/mol
Exact Mass452.19
IUPAC NameN-[[3-[4-[4-[[(5-aminofuran-2-yl)methylamino]methyl]phenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESCC(=O)NCC1CN(c2ccc(-c3ccc(CNCc4ccc(N)o4)cc3)c(F)c2)C(=O)O1
InChIInChI=1S/C24H25FN4O4/c1-15(30)28-13-20-14-29(24(31)33-20)18-6-8-21(22(25)10-18)17-4-2-16(3-5-17)11-27-12-19-7-9-23(26)32-19/h2-10,20,27H,11-14,26H2,1H3,(H,28,30)
InChIKeyOEIDZRUSUFDGLX-UHFFFAOYSA-N
XLogP3.42
TPSA109.83 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.49
LogP ≤ 53.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[3-[4-[4-[[(5-aminofuran-2-yl)methylamino]methyl]phenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The IUPAC name of N-[[3-[4-[4-[[(5-aminofuran-2-yl)methylamino]methyl]phenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (CID 145082264) is N-[[3-[4-[4-[[(5-aminofuran-2-yl)methylamino]methyl]phenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.
What is the SMILES notation for N-[[3-[4-[4-[[(5-aminofuran-2-yl)methylamino]methyl]phenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The canonical SMILES for N-[[3-[4-[4-[[(5-aminofuran-2-yl)methylamino]methyl]phenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is CC(=O)NCC1CN(c2ccc(-c3ccc(CNCc4ccc(N)o4)cc3)c(F)c2)C(=O)O1.
What is the InChIKey of N-[[3-[4-[4-[[(5-aminofuran-2-yl)methylamino]methyl]phenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The InChIKey is OEIDZRUSUFDGLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN4O4/c1-15(30)28-13-20-14-29(24(31)33-20)18-6-8-21(22(25)10-18)17-4-2-16(3-5-17)11-27-12-19-7-9-23(26)32-19/h2-10,20,27H,11-14,26H2,1H3,(H,28,30).
What are the key properties of N-[[3-[4-[4-[[(5-aminofuran-2-yl)methylamino]methyl]phenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
N-[[3-[4-[4-[[(5-aminofuran-2-yl)methylamino]methyl]phenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide has a molecular weight of 452.49 g/mol, XLogP of 3.42, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[4-[4-[[(5-aminofuran-2-yl)methylamino]methyl]phenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is sourced from PubChem (CID 145082264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).