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

C12H16F6N2O4 — CID 15458250

IUPACtert-butyl N-[[(4S)-3-methyl-5-oxo-2,2-bis(trifluoromethyl)-1,3-oxazolidin-4-yl]methyl]carbamate
SMILESCN1[C@@H](CNC(=O)OC(C)(C)C)C(=O)OC1(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C12H16F6N2O4/c1-9(2,3)24-8(22)19-5-6-7(21)23-10(20(6)4,11(13,14)15)12(16,17)18/h6H,5H2,1-4H3,(H,19,22)/t6-/m0/s1
InChIKeyVIZQHKHDQPWQFW-LURJTMIESA-N
MW366.26 g/mol
LogP2.19
Rot. Bonds2

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

tert-butyl N-[[(4S)-3-methyl-5-oxo-2,2-bis(trifluoromethyl)-1,3-oxazolidin-4-yl]methyl]carbamate (PubChem CID 15458250) has the molecular formula C12H16F6N2O4 and a molecular weight of 366.26 g/mol. Its IUPAC name is tert-butyl N-[[(4S)-3-methyl-5-oxo-2,2-bis(trifluoromethyl)-1,3-oxazolidin-4-yl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[(4S)-3-methyl-5-oxo-2,2-bis(trifluoromethyl)-1,3-oxazolidin-4-yl]methyl]carbamate
PubChem CID15458250
Molecular FormulaC12H16F6N2O4
Molecular Weight366.26 g/mol
Exact Mass366.10
IUPAC Nametert-butyl N-[[(4S)-3-methyl-5-oxo-2,2-bis(trifluoromethyl)-1,3-oxazolidin-4-yl]methyl]carbamate
SMILESCN1[C@@H](CNC(=O)OC(C)(C)C)C(=O)OC1(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C12H16F6N2O4/c1-9(2,3)24-8(22)19-5-6-7(21)23-10(20(6)4,11(13,14)15)12(16,17)18/h6H,5H2,1-4H3,(H,19,22)/t6-/m0/s1
InChIKeyVIZQHKHDQPWQFW-LURJTMIESA-N
XLogP2.19
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.26
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[(4S)-3-methyl-5-oxo-2,2-bis(trifluoromethyl)-1,3-oxazolidin-4-yl]methyl]carbamate?
The IUPAC name of tert-butyl N-[[(4S)-3-methyl-5-oxo-2,2-bis(trifluoromethyl)-1,3-oxazolidin-4-yl]methyl]carbamate (CID 15458250) is tert-butyl N-[[(4S)-3-methyl-5-oxo-2,2-bis(trifluoromethyl)-1,3-oxazolidin-4-yl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-[[(4S)-3-methyl-5-oxo-2,2-bis(trifluoromethyl)-1,3-oxazolidin-4-yl]methyl]carbamate?
The canonical SMILES for tert-butyl N-[[(4S)-3-methyl-5-oxo-2,2-bis(trifluoromethyl)-1,3-oxazolidin-4-yl]methyl]carbamate is CN1[C@@H](CNC(=O)OC(C)(C)C)C(=O)OC1(C(F)(F)F)C(F)(F)F.
What is the InChIKey of tert-butyl N-[[(4S)-3-methyl-5-oxo-2,2-bis(trifluoromethyl)-1,3-oxazolidin-4-yl]methyl]carbamate?
The InChIKey is VIZQHKHDQPWQFW-LURJTMIESA-N. The full InChI is InChI=1S/C12H16F6N2O4/c1-9(2,3)24-8(22)19-5-6-7(21)23-10(20(6)4,11(13,14)15)12(16,17)18/h6H,5H2,1-4H3,(H,19,22)/t6-/m0/s1.
What are the key properties of tert-butyl N-[[(4S)-3-methyl-5-oxo-2,2-bis(trifluoromethyl)-1,3-oxazolidin-4-yl]methyl]carbamate?
tert-butyl N-[[(4S)-3-methyl-5-oxo-2,2-bis(trifluoromethyl)-1,3-oxazolidin-4-yl]methyl]carbamate has a molecular weight of 366.26 g/mol, XLogP of 2.19, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[(4S)-3-methyl-5-oxo-2,2-bis(trifluoromethyl)-1,3-oxazolidin-4-yl]methyl]carbamate is sourced from PubChem (CID 15458250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).