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

C25H27FN4O4 — CID 23404056

IUPACN-[[(5S)-3-[4-[4-[[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]methyl]phenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESCC(=O)NC[C@H]1CN(c2ccc(-c3ccc(CNCc4c(C)noc4C)cc3)c(F)c2)C(=O)O1
InChIInChI=1S/C25H27FN4O4/c1-15-23(16(2)34-29-15)13-27-11-18-4-6-19(7-5-18)22-9-8-20(10-24(22)26)30-14-21(33-25(30)32)12-28-17(3)31/h4-10,21,27H,11-14H2,1-3H3,(H,28,31)/t21-/m0/s1
InChIKeyLZRJSCUNTOWUCI-NRFANRHFSA-N
MW466.51 g/mol
LogP3.85
Rot. Bonds8

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

N-[[(5S)-3-[4-[4-[[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]methyl]phenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (PubChem CID 23404056) has the molecular formula C25H27FN4O4 and a molecular weight of 466.51 g/mol. Its IUPAC name is N-[[(5S)-3-[4-[4-[[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]methyl]phenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[(5S)-3-[4-[4-[[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]methyl]phenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
PubChem CID23404056
Molecular FormulaC25H27FN4O4
Molecular Weight466.51 g/mol
Exact Mass466.20
IUPAC NameN-[[(5S)-3-[4-[4-[[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]methyl]phenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESCC(=O)NC[C@H]1CN(c2ccc(-c3ccc(CNCc4c(C)noc4C)cc3)c(F)c2)C(=O)O1
InChIInChI=1S/C25H27FN4O4/c1-15-23(16(2)34-29-15)13-27-11-18-4-6-19(7-5-18)22-9-8-20(10-24(22)26)30-14-21(33-25(30)32)12-28-17(3)31/h4-10,21,27H,11-14H2,1-3H3,(H,28,31)/t21-/m0/s1
InChIKeyLZRJSCUNTOWUCI-NRFANRHFSA-N
XLogP3.85
TPSA96.70 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.51
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[(5S)-3-[4-[4-[[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]methyl]phenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The IUPAC name of N-[[(5S)-3-[4-[4-[[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]methyl]phenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (CID 23404056) is N-[[(5S)-3-[4-[4-[[(3,5-dimethyl-1,2-oxazol-4-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-[[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]methyl]phenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The canonical SMILES for N-[[(5S)-3-[4-[4-[[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]methyl]phenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is CC(=O)NC[C@H]1CN(c2ccc(-c3ccc(CNCc4c(C)noc4C)cc3)c(F)c2)C(=O)O1.
What is the InChIKey of N-[[(5S)-3-[4-[4-[[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]methyl]phenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The InChIKey is LZRJSCUNTOWUCI-NRFANRHFSA-N. The full InChI is InChI=1S/C25H27FN4O4/c1-15-23(16(2)34-29-15)13-27-11-18-4-6-19(7-5-18)22-9-8-20(10-24(22)26)30-14-21(33-25(30)32)12-28-17(3)31/h4-10,21,27H,11-14H2,1-3H3,(H,28,31)/t21-/m0/s1.
What are the key properties of N-[[(5S)-3-[4-[4-[[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]methyl]phenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
N-[[(5S)-3-[4-[4-[[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]methyl]phenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide has a molecular weight of 466.51 g/mol, XLogP of 3.85, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(5S)-3-[4-[4-[[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]methyl]phenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is sourced from PubChem (CID 23404056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).