N-ethyl-3-[(4-fluorophenyl)methyl]-5-[3-[(4-methylbenzoyl)amino]phenyl]-2-oxo-1,3-oxazolidine-4-carboxamide

C27H26FN3O4 — CID 46021176

IUPACN-ethyl-3-[(4-fluorophenyl)methyl]-5-[3-[(4-methylbenzoyl)amino]phenyl]-2-oxo-1,3-oxazolidine-4-carboxamide
SMILESCCNC(=O)C1C(c2cccc(NC(=O)c3ccc(C)cc3)c2)OC(=O)N1Cc1ccc(F)cc1
InChIInChI=1S/C27H26FN3O4/c1-3-29-26(33)23-24(35-27(34)31(23)16-18-9-13-21(28)14-10-18)20-5-4-6-22(15-20)30-25(32)19-11-7-17(2)8-12-19/h4-15,23-24H,3,16H2,1-2H3,(H,29,33)(H,30,32)
InChIKeyCVJIQORCRAMSDM-UHFFFAOYSA-N
MW475.52 g/mol
LogP4.58
Rot. Bonds7

About N-ethyl-3-[(4-fluorophenyl)methyl]-5-[3-[(4-methylbenzoyl)amino]phenyl]-2-oxo-1,3-oxazolidine-4-carboxamide

N-ethyl-3-[(4-fluorophenyl)methyl]-5-[3-[(4-methylbenzoyl)amino]phenyl]-2-oxo-1,3-oxazolidine-4-carboxamide (PubChem CID 46021176) has the molecular formula C27H26FN3O4 and a molecular weight of 475.52 g/mol. Its IUPAC name is N-ethyl-3-[(4-fluorophenyl)methyl]-5-[3-[(4-methylbenzoyl)amino]phenyl]-2-oxo-1,3-oxazolidine-4-carboxamide.

Molecular Properties

Compound NameN-ethyl-3-[(4-fluorophenyl)methyl]-5-[3-[(4-methylbenzoyl)amino]phenyl]-2-oxo-1,3-oxazolidine-4-carboxamide
PubChem CID46021176
Molecular FormulaC27H26FN3O4
Molecular Weight475.52 g/mol
Exact Mass475.19
IUPAC NameN-ethyl-3-[(4-fluorophenyl)methyl]-5-[3-[(4-methylbenzoyl)amino]phenyl]-2-oxo-1,3-oxazolidine-4-carboxamide
SMILESCCNC(=O)C1C(c2cccc(NC(=O)c3ccc(C)cc3)c2)OC(=O)N1Cc1ccc(F)cc1
InChIInChI=1S/C27H26FN3O4/c1-3-29-26(33)23-24(35-27(34)31(23)16-18-9-13-21(28)14-10-18)20-5-4-6-22(15-20)30-25(32)19-11-7-17(2)8-12-19/h4-15,23-24H,3,16H2,1-2H3,(H,29,33)(H,30,32)
InChIKeyCVJIQORCRAMSDM-UHFFFAOYSA-N
XLogP4.58
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.52
LogP ≤ 54.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-[(4-fluorophenyl)methyl]-5-[3-[(4-methylbenzoyl)amino]phenyl]-2-oxo-1,3-oxazolidine-4-carboxamide?
The IUPAC name of N-ethyl-3-[(4-fluorophenyl)methyl]-5-[3-[(4-methylbenzoyl)amino]phenyl]-2-oxo-1,3-oxazolidine-4-carboxamide (CID 46021176) is N-ethyl-3-[(4-fluorophenyl)methyl]-5-[3-[(4-methylbenzoyl)amino]phenyl]-2-oxo-1,3-oxazolidine-4-carboxamide.
What is the SMILES notation for N-ethyl-3-[(4-fluorophenyl)methyl]-5-[3-[(4-methylbenzoyl)amino]phenyl]-2-oxo-1,3-oxazolidine-4-carboxamide?
The canonical SMILES for N-ethyl-3-[(4-fluorophenyl)methyl]-5-[3-[(4-methylbenzoyl)amino]phenyl]-2-oxo-1,3-oxazolidine-4-carboxamide is CCNC(=O)C1C(c2cccc(NC(=O)c3ccc(C)cc3)c2)OC(=O)N1Cc1ccc(F)cc1.
What is the InChIKey of N-ethyl-3-[(4-fluorophenyl)methyl]-5-[3-[(4-methylbenzoyl)amino]phenyl]-2-oxo-1,3-oxazolidine-4-carboxamide?
The InChIKey is CVJIQORCRAMSDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26FN3O4/c1-3-29-26(33)23-24(35-27(34)31(23)16-18-9-13-21(28)14-10-18)20-5-4-6-22(15-20)30-25(32)19-11-7-17(2)8-12-19/h4-15,23-24H,3,16H2,1-2H3,(H,29,33)(H,30,32).
What are the key properties of N-ethyl-3-[(4-fluorophenyl)methyl]-5-[3-[(4-methylbenzoyl)amino]phenyl]-2-oxo-1,3-oxazolidine-4-carboxamide?
N-ethyl-3-[(4-fluorophenyl)methyl]-5-[3-[(4-methylbenzoyl)amino]phenyl]-2-oxo-1,3-oxazolidine-4-carboxamide has a molecular weight of 475.52 g/mol, XLogP of 4.58, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-[(4-fluorophenyl)methyl]-5-[3-[(4-methylbenzoyl)amino]phenyl]-2-oxo-1,3-oxazolidine-4-carboxamide is sourced from PubChem (CID 46021176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).