(4S)-N-tert-butyl-2,2,3-trimethyl-1,3-oxazolidine-4-carboxamide

C11H22N2O2 — CID 58281564

IUPAC(4S)-N-tert-butyl-2,2,3-trimethyl-1,3-oxazolidine-4-carboxamide
SMILESCN1[C@H](C(=O)NC(C)(C)C)COC1(C)C
InChIInChI=1S/C11H22N2O2/c1-10(2,3)12-9(14)8-7-15-11(4,5)13(8)6/h8H,7H2,1-6H3,(H,12,14)/t8-/m0/s1
InChIKeyQAQGEWKMMHIHPZ-QMMMGPOBSA-N
MW214.31 g/mol
LogP0.97
Rot. Bonds1

About (4S)-N-tert-butyl-2,2,3-trimethyl-1,3-oxazolidine-4-carboxamide

(4S)-N-tert-butyl-2,2,3-trimethyl-1,3-oxazolidine-4-carboxamide (PubChem CID 58281564) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is (4S)-N-tert-butyl-2,2,3-trimethyl-1,3-oxazolidine-4-carboxamide.

Molecular Properties

Compound Name(4S)-N-tert-butyl-2,2,3-trimethyl-1,3-oxazolidine-4-carboxamide
PubChem CID58281564
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Name(4S)-N-tert-butyl-2,2,3-trimethyl-1,3-oxazolidine-4-carboxamide
SMILESCN1[C@H](C(=O)NC(C)(C)C)COC1(C)C
InChIInChI=1S/C11H22N2O2/c1-10(2,3)12-9(14)8-7-15-11(4,5)13(8)6/h8H,7H2,1-6H3,(H,12,14)/t8-/m0/s1
InChIKeyQAQGEWKMMHIHPZ-QMMMGPOBSA-N
XLogP0.97
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4S)-N-tert-butyl-2,2,3-trimethyl-1,3-oxazolidine-4-carboxamide?
The IUPAC name of (4S)-N-tert-butyl-2,2,3-trimethyl-1,3-oxazolidine-4-carboxamide (CID 58281564) is (4S)-N-tert-butyl-2,2,3-trimethyl-1,3-oxazolidine-4-carboxamide.
What is the SMILES notation for (4S)-N-tert-butyl-2,2,3-trimethyl-1,3-oxazolidine-4-carboxamide?
The canonical SMILES for (4S)-N-tert-butyl-2,2,3-trimethyl-1,3-oxazolidine-4-carboxamide is CN1[C@H](C(=O)NC(C)(C)C)COC1(C)C.
What is the InChIKey of (4S)-N-tert-butyl-2,2,3-trimethyl-1,3-oxazolidine-4-carboxamide?
The InChIKey is QAQGEWKMMHIHPZ-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-10(2,3)12-9(14)8-7-15-11(4,5)13(8)6/h8H,7H2,1-6H3,(H,12,14)/t8-/m0/s1.
What are the key properties of (4S)-N-tert-butyl-2,2,3-trimethyl-1,3-oxazolidine-4-carboxamide?
(4S)-N-tert-butyl-2,2,3-trimethyl-1,3-oxazolidine-4-carboxamide has a molecular weight of 214.31 g/mol, XLogP of 0.97, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-N-tert-butyl-2,2,3-trimethyl-1,3-oxazolidine-4-carboxamide is sourced from PubChem (CID 58281564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).