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

C26H28FN3O4 — CID 23404062

IUPACN-[[(5S)-3-[4-[4-[[(4,5-dimethylfuran-2-yl)methylamino]methyl]phenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESCC(=O)NC[C@H]1CN(c2ccc(-c3ccc(CNCc4cc(C)c(C)o4)cc3)c(F)c2)C(=O)O1
InChIInChI=1S/C26H28FN3O4/c1-16-10-22(33-17(16)2)13-28-12-19-4-6-20(7-5-19)24-9-8-21(11-25(24)27)30-15-23(34-26(30)32)14-29-18(3)31/h4-11,23,28H,12-15H2,1-3H3,(H,29,31)/t23-/m0/s1
InChIKeyXCQHAPUYPVOBAH-QHCPKHFHSA-N
MW465.53 g/mol
LogP4.45
Rot. Bonds8

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

N-[[(5S)-3-[4-[4-[[(4,5-dimethylfuran-2-yl)methylamino]methyl]phenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (PubChem CID 23404062) has the molecular formula C26H28FN3O4 and a molecular weight of 465.53 g/mol. Its IUPAC name is N-[[(5S)-3-[4-[4-[[(4,5-dimethylfuran-2-yl)methylamino]methyl]phenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[(5S)-3-[4-[4-[[(4,5-dimethylfuran-2-yl)methylamino]methyl]phenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
PubChem CID23404062
Molecular FormulaC26H28FN3O4
Molecular Weight465.53 g/mol
Exact Mass465.21
IUPAC NameN-[[(5S)-3-[4-[4-[[(4,5-dimethylfuran-2-yl)methylamino]methyl]phenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESCC(=O)NC[C@H]1CN(c2ccc(-c3ccc(CNCc4cc(C)c(C)o4)cc3)c(F)c2)C(=O)O1
InChIInChI=1S/C26H28FN3O4/c1-16-10-22(33-17(16)2)13-28-12-19-4-6-20(7-5-19)24-9-8-21(11-25(24)27)30-15-23(34-26(30)32)14-29-18(3)31/h4-11,23,28H,12-15H2,1-3H3,(H,29,31)/t23-/m0/s1
InChIKeyXCQHAPUYPVOBAH-QHCPKHFHSA-N
XLogP4.45
TPSA83.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.53
LogP ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[(5S)-3-[4-[4-[[(4,5-dimethylfuran-2-yl)methylamino]methyl]phenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The IUPAC name of N-[[(5S)-3-[4-[4-[[(4,5-dimethylfuran-2-yl)methylamino]methyl]phenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (CID 23404062) is N-[[(5S)-3-[4-[4-[[(4,5-dimethylfuran-2-yl)methylamino]methyl]phenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.
What is the SMILES notation for N-[[(5S)-3-[4-[4-[[(4,5-dimethylfuran-2-yl)methylamino]methyl]phenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The canonical SMILES for N-[[(5S)-3-[4-[4-[[(4,5-dimethylfuran-2-yl)methylamino]methyl]phenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is CC(=O)NC[C@H]1CN(c2ccc(-c3ccc(CNCc4cc(C)c(C)o4)cc3)c(F)c2)C(=O)O1.
What is the InChIKey of N-[[(5S)-3-[4-[4-[[(4,5-dimethylfuran-2-yl)methylamino]methyl]phenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The InChIKey is XCQHAPUYPVOBAH-QHCPKHFHSA-N. The full InChI is InChI=1S/C26H28FN3O4/c1-16-10-22(33-17(16)2)13-28-12-19-4-6-20(7-5-19)24-9-8-21(11-25(24)27)30-15-23(34-26(30)32)14-29-18(3)31/h4-11,23,28H,12-15H2,1-3H3,(H,29,31)/t23-/m0/s1.
What are the key properties of N-[[(5S)-3-[4-[4-[[(4,5-dimethylfuran-2-yl)methylamino]methyl]phenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
N-[[(5S)-3-[4-[4-[[(4,5-dimethylfuran-2-yl)methylamino]methyl]phenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide has a molecular weight of 465.53 g/mol, XLogP of 4.45, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(5S)-3-[4-[4-[[(4,5-dimethylfuran-2-yl)methylamino]methyl]phenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is sourced from PubChem (CID 23404062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).