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

C19H17F3N2O3 — CID 19029956

IUPACN-[[2-oxo-3-[4-phenyl-3-(trifluoromethyl)phenyl]-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESCC(=O)NCC1CN(c2ccc(-c3ccccc3)c(C(F)(F)F)c2)C(=O)O1
InChIInChI=1S/C19H17F3N2O3/c1-12(25)23-10-15-11-24(18(26)27-15)14-7-8-16(13-5-3-2-4-6-13)17(9-14)19(20,21)22/h2-9,15H,10-11H2,1H3,(H,23,25)
InChIKeyODUNYEQMFAZMOB-UHFFFAOYSA-N
MW378.35 g/mol
LogP3.83
Rot. Bonds4

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

N-[[2-oxo-3-[4-phenyl-3-(trifluoromethyl)phenyl]-1,3-oxazolidin-5-yl]methyl]acetamide (PubChem CID 19029956) has the molecular formula C19H17F3N2O3 and a molecular weight of 378.35 g/mol. Its IUPAC name is N-[[2-oxo-3-[4-phenyl-3-(trifluoromethyl)phenyl]-1,3-oxazolidin-5-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[2-oxo-3-[4-phenyl-3-(trifluoromethyl)phenyl]-1,3-oxazolidin-5-yl]methyl]acetamide
PubChem CID19029956
Molecular FormulaC19H17F3N2O3
Molecular Weight378.35 g/mol
Exact Mass378.12
IUPAC NameN-[[2-oxo-3-[4-phenyl-3-(trifluoromethyl)phenyl]-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESCC(=O)NCC1CN(c2ccc(-c3ccccc3)c(C(F)(F)F)c2)C(=O)O1
InChIInChI=1S/C19H17F3N2O3/c1-12(25)23-10-15-11-24(18(26)27-15)14-7-8-16(13-5-3-2-4-6-13)17(9-14)19(20,21)22/h2-9,15H,10-11H2,1H3,(H,23,25)
InChIKeyODUNYEQMFAZMOB-UHFFFAOYSA-N
XLogP3.83
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.35
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[2-oxo-3-[4-phenyl-3-(trifluoromethyl)phenyl]-1,3-oxazolidin-5-yl]methyl]acetamide?
The IUPAC name of N-[[2-oxo-3-[4-phenyl-3-(trifluoromethyl)phenyl]-1,3-oxazolidin-5-yl]methyl]acetamide (CID 19029956) is N-[[2-oxo-3-[4-phenyl-3-(trifluoromethyl)phenyl]-1,3-oxazolidin-5-yl]methyl]acetamide.
What is the SMILES notation for N-[[2-oxo-3-[4-phenyl-3-(trifluoromethyl)phenyl]-1,3-oxazolidin-5-yl]methyl]acetamide?
The canonical SMILES for N-[[2-oxo-3-[4-phenyl-3-(trifluoromethyl)phenyl]-1,3-oxazolidin-5-yl]methyl]acetamide is CC(=O)NCC1CN(c2ccc(-c3ccccc3)c(C(F)(F)F)c2)C(=O)O1.
What is the InChIKey of N-[[2-oxo-3-[4-phenyl-3-(trifluoromethyl)phenyl]-1,3-oxazolidin-5-yl]methyl]acetamide?
The InChIKey is ODUNYEQMFAZMOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F3N2O3/c1-12(25)23-10-15-11-24(18(26)27-15)14-7-8-16(13-5-3-2-4-6-13)17(9-14)19(20,21)22/h2-9,15H,10-11H2,1H3,(H,23,25).
What are the key properties of N-[[2-oxo-3-[4-phenyl-3-(trifluoromethyl)phenyl]-1,3-oxazolidin-5-yl]methyl]acetamide?
N-[[2-oxo-3-[4-phenyl-3-(trifluoromethyl)phenyl]-1,3-oxazolidin-5-yl]methyl]acetamide has a molecular weight of 378.35 g/mol, XLogP of 3.83, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-oxo-3-[4-phenyl-3-(trifluoromethyl)phenyl]-1,3-oxazolidin-5-yl]methyl]acetamide is sourced from PubChem (CID 19029956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).