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

C20H16F6N2O3 — CID 19029948

IUPACN-[[2-oxo-3-[4-phenyl-3,5-bis(trifluoromethyl)phenyl]-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESCC(=O)NCC1CN(c2cc(C(F)(F)F)c(-c3ccccc3)c(C(F)(F)F)c2)C(=O)O1
InChIInChI=1S/C20H16F6N2O3/c1-11(29)27-9-14-10-28(18(30)31-14)13-7-15(19(21,22)23)17(12-5-3-2-4-6-12)16(8-13)20(24,25)26/h2-8,14H,9-10H2,1H3,(H,27,29)
InChIKeyWZOKJABRUDCBOT-UHFFFAOYSA-N
MW446.35 g/mol
LogP4.85
Rot. Bonds4

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

N-[[2-oxo-3-[4-phenyl-3,5-bis(trifluoromethyl)phenyl]-1,3-oxazolidin-5-yl]methyl]acetamide (PubChem CID 19029948) has the molecular formula C20H16F6N2O3 and a molecular weight of 446.35 g/mol. Its IUPAC name is N-[[2-oxo-3-[4-phenyl-3,5-bis(trifluoromethyl)phenyl]-1,3-oxazolidin-5-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[2-oxo-3-[4-phenyl-3,5-bis(trifluoromethyl)phenyl]-1,3-oxazolidin-5-yl]methyl]acetamide
PubChem CID19029948
Molecular FormulaC20H16F6N2O3
Molecular Weight446.35 g/mol
Exact Mass446.11
IUPAC NameN-[[2-oxo-3-[4-phenyl-3,5-bis(trifluoromethyl)phenyl]-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESCC(=O)NCC1CN(c2cc(C(F)(F)F)c(-c3ccccc3)c(C(F)(F)F)c2)C(=O)O1
InChIInChI=1S/C20H16F6N2O3/c1-11(29)27-9-14-10-28(18(30)31-14)13-7-15(19(21,22)23)17(12-5-3-2-4-6-12)16(8-13)20(24,25)26/h2-8,14H,9-10H2,1H3,(H,27,29)
InChIKeyWZOKJABRUDCBOT-UHFFFAOYSA-N
XLogP4.85
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.35
LogP ≤ 54.85
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-3,5-bis(trifluoromethyl)phenyl]-1,3-oxazolidin-5-yl]methyl]acetamide?
The IUPAC name of N-[[2-oxo-3-[4-phenyl-3,5-bis(trifluoromethyl)phenyl]-1,3-oxazolidin-5-yl]methyl]acetamide (CID 19029948) is N-[[2-oxo-3-[4-phenyl-3,5-bis(trifluoromethyl)phenyl]-1,3-oxazolidin-5-yl]methyl]acetamide.
What is the SMILES notation for N-[[2-oxo-3-[4-phenyl-3,5-bis(trifluoromethyl)phenyl]-1,3-oxazolidin-5-yl]methyl]acetamide?
The canonical SMILES for N-[[2-oxo-3-[4-phenyl-3,5-bis(trifluoromethyl)phenyl]-1,3-oxazolidin-5-yl]methyl]acetamide is CC(=O)NCC1CN(c2cc(C(F)(F)F)c(-c3ccccc3)c(C(F)(F)F)c2)C(=O)O1.
What is the InChIKey of N-[[2-oxo-3-[4-phenyl-3,5-bis(trifluoromethyl)phenyl]-1,3-oxazolidin-5-yl]methyl]acetamide?
The InChIKey is WZOKJABRUDCBOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F6N2O3/c1-11(29)27-9-14-10-28(18(30)31-14)13-7-15(19(21,22)23)17(12-5-3-2-4-6-12)16(8-13)20(24,25)26/h2-8,14H,9-10H2,1H3,(H,27,29).
What are the key properties of N-[[2-oxo-3-[4-phenyl-3,5-bis(trifluoromethyl)phenyl]-1,3-oxazolidin-5-yl]methyl]acetamide?
N-[[2-oxo-3-[4-phenyl-3,5-bis(trifluoromethyl)phenyl]-1,3-oxazolidin-5-yl]methyl]acetamide has a molecular weight of 446.35 g/mol, XLogP of 4.85, 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-3,5-bis(trifluoromethyl)phenyl]-1,3-oxazolidin-5-yl]methyl]acetamide is sourced from PubChem (CID 19029948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).