(4S,5R)-4-tert-butyl-5-methoxy-1,3-oxazolidin-2-one

C8H15NO3 — CID 45091148

IUPAC(4S,5R)-4-tert-butyl-5-methoxy-1,3-oxazolidin-2-one
SMILESCO[C@@H]1OC(=O)N[C@H]1C(C)(C)C
InChIInChI=1S/C8H15NO3/c1-8(2,3)5-6(11-4)12-7(10)9-5/h5-6H,1-4H3,(H,9,10)/t5-,6-/m1/s1
InChIKeyNXJGCBBUBBIDJU-PHDIDXHHSA-N
MW173.21 g/mol
LogP1.11
Rot. Bonds1

About (4S,5R)-4-tert-butyl-5-methoxy-1,3-oxazolidin-2-one

(4S,5R)-4-tert-butyl-5-methoxy-1,3-oxazolidin-2-one (PubChem CID 45091148) has the molecular formula C8H15NO3 and a molecular weight of 173.21 g/mol. Its IUPAC name is (4S,5R)-4-tert-butyl-5-methoxy-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S,5R)-4-tert-butyl-5-methoxy-1,3-oxazolidin-2-one
PubChem CID45091148
Molecular FormulaC8H15NO3
Molecular Weight173.21 g/mol
Exact Mass173.11
IUPAC Name(4S,5R)-4-tert-butyl-5-methoxy-1,3-oxazolidin-2-one
SMILESCO[C@@H]1OC(=O)N[C@H]1C(C)(C)C
InChIInChI=1S/C8H15NO3/c1-8(2,3)5-6(11-4)12-7(10)9-5/h5-6H,1-4H3,(H,9,10)/t5-,6-/m1/s1
InChIKeyNXJGCBBUBBIDJU-PHDIDXHHSA-N
XLogP1.11
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.21
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4S,5R)-4-tert-butyl-5-methoxy-1,3-oxazolidin-2-one?
The IUPAC name of (4S,5R)-4-tert-butyl-5-methoxy-1,3-oxazolidin-2-one (CID 45091148) is (4S,5R)-4-tert-butyl-5-methoxy-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S,5R)-4-tert-butyl-5-methoxy-1,3-oxazolidin-2-one?
The canonical SMILES for (4S,5R)-4-tert-butyl-5-methoxy-1,3-oxazolidin-2-one is CO[C@@H]1OC(=O)N[C@H]1C(C)(C)C.
What is the InChIKey of (4S,5R)-4-tert-butyl-5-methoxy-1,3-oxazolidin-2-one?
The InChIKey is NXJGCBBUBBIDJU-PHDIDXHHSA-N. The full InChI is InChI=1S/C8H15NO3/c1-8(2,3)5-6(11-4)12-7(10)9-5/h5-6H,1-4H3,(H,9,10)/t5-,6-/m1/s1.
What are the key properties of (4S,5R)-4-tert-butyl-5-methoxy-1,3-oxazolidin-2-one?
(4S,5R)-4-tert-butyl-5-methoxy-1,3-oxazolidin-2-one has a molecular weight of 173.21 g/mol, XLogP of 1.11, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5R)-4-tert-butyl-5-methoxy-1,3-oxazolidin-2-one is sourced from PubChem (CID 45091148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).