(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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 641505
CID 641505
CID 6950844
CID 6950844
CID 7157133
CID 7157133
CID 3474206
CID 3474206
CID 519353
CID 519353
CID 2734860
CID 2734860
CID 15281648
CID 15281648
CID 15632314
CID 15632314
CID 22909932
CID 22909932
CID 89945703
CID 89945703
CID 90914673
CID 90914673
CID 130933811
CID 130933811

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).