tert-butyl N-methyl-N-[5-oxo-5-(2-oxo-1,3-oxazolidin-3-yl)-4-[[4-(trifluoromethyl)phenyl]methyl]pentyl]carbamate

C22H29F3N2O5 — CID 170083696

IUPACtert-butyl N-methyl-N-[5-oxo-5-(2-oxo-1,3-oxazolidin-3-yl)-4-[[4-(trifluoromethyl)phenyl]methyl]pentyl]carbamate
SMILESCN(CCCC(Cc1ccc(C(F)(F)F)cc1)C(=O)N1CCOC1=O)C(=O)OC(C)(C)C
InChIInChI=1S/C22H29F3N2O5/c1-21(2,3)32-19(29)26(4)11-5-6-16(18(28)27-12-13-31-20(27)30)14-15-7-9-17(10-8-15)22(23,24)25/h7-10,16H,5-6,11-14H2,1-4H3
InChIKeyPLUJPGKOBSQWEO-UHFFFAOYSA-N
MW458.48 g/mol
LogP4.49
Rot. Bonds7

About tert-butyl N-methyl-N-[5-oxo-5-(2-oxo-1,3-oxazolidin-3-yl)-4-[[4-(trifluoromethyl)phenyl]methyl]pentyl]carbamate

tert-butyl N-methyl-N-[5-oxo-5-(2-oxo-1,3-oxazolidin-3-yl)-4-[[4-(trifluoromethyl)phenyl]methyl]pentyl]carbamate (PubChem CID 170083696) has the molecular formula C22H29F3N2O5 and a molecular weight of 458.48 g/mol. Its IUPAC name is tert-butyl N-methyl-N-[5-oxo-5-(2-oxo-1,3-oxazolidin-3-yl)-4-[[4-(trifluoromethyl)phenyl]methyl]pentyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-methyl-N-[5-oxo-5-(2-oxo-1,3-oxazolidin-3-yl)-4-[[4-(trifluoromethyl)phenyl]methyl]pentyl]carbamate
PubChem CID170083696
Molecular FormulaC22H29F3N2O5
Molecular Weight458.48 g/mol
Exact Mass458.20
IUPAC Nametert-butyl N-methyl-N-[5-oxo-5-(2-oxo-1,3-oxazolidin-3-yl)-4-[[4-(trifluoromethyl)phenyl]methyl]pentyl]carbamate
SMILESCN(CCCC(Cc1ccc(C(F)(F)F)cc1)C(=O)N1CCOC1=O)C(=O)OC(C)(C)C
InChIInChI=1S/C22H29F3N2O5/c1-21(2,3)32-19(29)26(4)11-5-6-16(18(28)27-12-13-31-20(27)30)14-15-7-9-17(10-8-15)22(23,24)25/h7-10,16H,5-6,11-14H2,1-4H3
InChIKeyPLUJPGKOBSQWEO-UHFFFAOYSA-N
XLogP4.49
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.48
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-methyl-N-[5-oxo-5-(2-oxo-1,3-oxazolidin-3-yl)-4-[[4-(trifluoromethyl)phenyl]methyl]pentyl]carbamate?
The IUPAC name of tert-butyl N-methyl-N-[5-oxo-5-(2-oxo-1,3-oxazolidin-3-yl)-4-[[4-(trifluoromethyl)phenyl]methyl]pentyl]carbamate (CID 170083696) is tert-butyl N-methyl-N-[5-oxo-5-(2-oxo-1,3-oxazolidin-3-yl)-4-[[4-(trifluoromethyl)phenyl]methyl]pentyl]carbamate.
What is the SMILES notation for tert-butyl N-methyl-N-[5-oxo-5-(2-oxo-1,3-oxazolidin-3-yl)-4-[[4-(trifluoromethyl)phenyl]methyl]pentyl]carbamate?
The canonical SMILES for tert-butyl N-methyl-N-[5-oxo-5-(2-oxo-1,3-oxazolidin-3-yl)-4-[[4-(trifluoromethyl)phenyl]methyl]pentyl]carbamate is CN(CCCC(Cc1ccc(C(F)(F)F)cc1)C(=O)N1CCOC1=O)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-methyl-N-[5-oxo-5-(2-oxo-1,3-oxazolidin-3-yl)-4-[[4-(trifluoromethyl)phenyl]methyl]pentyl]carbamate?
The InChIKey is PLUJPGKOBSQWEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29F3N2O5/c1-21(2,3)32-19(29)26(4)11-5-6-16(18(28)27-12-13-31-20(27)30)14-15-7-9-17(10-8-15)22(23,24)25/h7-10,16H,5-6,11-14H2,1-4H3.
What are the key properties of tert-butyl N-methyl-N-[5-oxo-5-(2-oxo-1,3-oxazolidin-3-yl)-4-[[4-(trifluoromethyl)phenyl]methyl]pentyl]carbamate?
tert-butyl N-methyl-N-[5-oxo-5-(2-oxo-1,3-oxazolidin-3-yl)-4-[[4-(trifluoromethyl)phenyl]methyl]pentyl]carbamate has a molecular weight of 458.48 g/mol, XLogP of 4.49, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-methyl-N-[5-oxo-5-(2-oxo-1,3-oxazolidin-3-yl)-4-[[4-(trifluoromethyl)phenyl]methyl]pentyl]carbamate is sourced from PubChem (CID 170083696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).