tert-butyl N-[2-(2-oxo-1,3-oxazolidin-3-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]carbamate

C17H21F3N2O4 — CID 59536894

IUPACtert-butyl N-[2-(2-oxo-1,3-oxazolidin-3-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]carbamate
SMILESCC(C)(C)OC(=O)NC(CN1CCOC1=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C17H21F3N2O4/c1-16(2,3)26-14(23)21-13(10-22-7-8-25-15(22)24)11-5-4-6-12(9-11)17(18,19)20/h4-6,9,13H,7-8,10H2,1-3H3,(H,21,23)
InChIKeyLMIMBPOUBYLFDP-UHFFFAOYSA-N
MW374.36 g/mol
LogP3.72
Rot. Bonds4

About tert-butyl N-[2-(2-oxo-1,3-oxazolidin-3-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]carbamate

tert-butyl N-[2-(2-oxo-1,3-oxazolidin-3-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]carbamate (PubChem CID 59536894) has the molecular formula C17H21F3N2O4 and a molecular weight of 374.36 g/mol. Its IUPAC name is tert-butyl N-[2-(2-oxo-1,3-oxazolidin-3-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(2-oxo-1,3-oxazolidin-3-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]carbamate
PubChem CID59536894
Molecular FormulaC17H21F3N2O4
Molecular Weight374.36 g/mol
Exact Mass374.15
IUPAC Nametert-butyl N-[2-(2-oxo-1,3-oxazolidin-3-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]carbamate
SMILESCC(C)(C)OC(=O)NC(CN1CCOC1=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C17H21F3N2O4/c1-16(2,3)26-14(23)21-13(10-22-7-8-25-15(22)24)11-5-4-6-12(9-11)17(18,19)20/h4-6,9,13H,7-8,10H2,1-3H3,(H,21,23)
InChIKeyLMIMBPOUBYLFDP-UHFFFAOYSA-N
XLogP3.72
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.36
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[(2S)-3-methyl-1-(2-oxo-1,3-oxazolidin-3-yl)butan-2-yl]carbamate
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CID 24903486
2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-[3-(trifluoromethyl)phenyl]acetic acid
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N-[(1S)-2-(2-oxopyrrolidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]butanamide
CID 94118050
(2R)-2-methylsulfanyl-N-[(1R)-2-(2-oxopyrrolidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]propanamide
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4-(methoxymethyl)-N-[2-(2-oxopyrrolidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]benzamide
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1-methyl-2-oxo-N-[(1S)-2-(2-oxopyrrolidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]pyridine-4-carboxamide
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tert-butyl N-[(1S)-2-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-1-phenylethyl]carbamate
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tert-butyl (2R)-4-[2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]-2-methylpiperazine-1-carboxylate
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tert-butyl N-[(1S)-2-(azetidin-1-yl)-1-[4-chloro-3-(trifluoromethyl)phenyl]ethyl]carbamate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(2-oxo-1,3-oxazolidin-3-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-(2-oxo-1,3-oxazolidin-3-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]carbamate (CID 59536894) is tert-butyl N-[2-(2-oxo-1,3-oxazolidin-3-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-(2-oxo-1,3-oxazolidin-3-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-(2-oxo-1,3-oxazolidin-3-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]carbamate is CC(C)(C)OC(=O)NC(CN1CCOC1=O)c1cccc(C(F)(F)F)c1.
What is the InChIKey of tert-butyl N-[2-(2-oxo-1,3-oxazolidin-3-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]carbamate?
The InChIKey is LMIMBPOUBYLFDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21F3N2O4/c1-16(2,3)26-14(23)21-13(10-22-7-8-25-15(22)24)11-5-4-6-12(9-11)17(18,19)20/h4-6,9,13H,7-8,10H2,1-3H3,(H,21,23).
What are the key properties of tert-butyl N-[2-(2-oxo-1,3-oxazolidin-3-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]carbamate?
tert-butyl N-[2-(2-oxo-1,3-oxazolidin-3-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]carbamate has a molecular weight of 374.36 g/mol, XLogP of 3.72, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-(2-oxo-1,3-oxazolidin-3-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]carbamate is sourced from PubChem (CID 59536894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).