3-[(2R,3R,4R)-4-tert-butyl-5-oxo-2-phenyloxolane-3-carbonyl]-1,3-oxazolidin-2-one

C18H21NO5 — CID 11438942

IUPAC3-[(2R,3R,4R)-4-tert-butyl-5-oxo-2-phenyloxolane-3-carbonyl]-1,3-oxazolidin-2-one
SMILESCC(C)(C)[C@@H]1C(=O)O[C@@H](c2ccccc2)[C@@H]1C(=O)N1CCOC1=O
InChIInChI=1S/C18H21NO5/c1-18(2,3)13-12(15(20)19-9-10-23-17(19)22)14(24-16(13)21)11-7-5-4-6-8-11/h4-8,12-14H,9-10H2,1-3H3/t12-,13+,14+/m1/s1
InChIKeyLVGLDQPIQBKDDP-RDBSUJKOSA-N
MW331.37 g/mol
LogP2.54
Rot. Bonds2

About 3-[(2R,3R,4R)-4-tert-butyl-5-oxo-2-phenyloxolane-3-carbonyl]-1,3-oxazolidin-2-one

3-[(2R,3R,4R)-4-tert-butyl-5-oxo-2-phenyloxolane-3-carbonyl]-1,3-oxazolidin-2-one (PubChem CID 11438942) has the molecular formula C18H21NO5 and a molecular weight of 331.37 g/mol. Its IUPAC name is 3-[(2R,3R,4R)-4-tert-butyl-5-oxo-2-phenyloxolane-3-carbonyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[(2R,3R,4R)-4-tert-butyl-5-oxo-2-phenyloxolane-3-carbonyl]-1,3-oxazolidin-2-one
PubChem CID11438942
Molecular FormulaC18H21NO5
Molecular Weight331.37 g/mol
Exact Mass331.14
IUPAC Name3-[(2R,3R,4R)-4-tert-butyl-5-oxo-2-phenyloxolane-3-carbonyl]-1,3-oxazolidin-2-one
SMILESCC(C)(C)[C@@H]1C(=O)O[C@@H](c2ccccc2)[C@@H]1C(=O)N1CCOC1=O
InChIInChI=1S/C18H21NO5/c1-18(2,3)13-12(15(20)19-9-10-23-17(19)22)14(24-16(13)21)11-7-5-4-6-8-11/h4-8,12-14H,9-10H2,1-3H3/t12-,13+,14+/m1/s1
InChIKeyLVGLDQPIQBKDDP-RDBSUJKOSA-N
XLogP2.54
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.37
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(2R,3R,4R)-4-tert-butyl-5-oxo-2-phenyloxolane-3-carbonyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[(2R,3R,4R)-4-tert-butyl-5-oxo-2-phenyloxolane-3-carbonyl]-1,3-oxazolidin-2-one (CID 11438942) is 3-[(2R,3R,4R)-4-tert-butyl-5-oxo-2-phenyloxolane-3-carbonyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[(2R,3R,4R)-4-tert-butyl-5-oxo-2-phenyloxolane-3-carbonyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[(2R,3R,4R)-4-tert-butyl-5-oxo-2-phenyloxolane-3-carbonyl]-1,3-oxazolidin-2-one is CC(C)(C)[C@@H]1C(=O)O[C@@H](c2ccccc2)[C@@H]1C(=O)N1CCOC1=O.
What is the InChIKey of 3-[(2R,3R,4R)-4-tert-butyl-5-oxo-2-phenyloxolane-3-carbonyl]-1,3-oxazolidin-2-one?
The InChIKey is LVGLDQPIQBKDDP-RDBSUJKOSA-N. The full InChI is InChI=1S/C18H21NO5/c1-18(2,3)13-12(15(20)19-9-10-23-17(19)22)14(24-16(13)21)11-7-5-4-6-8-11/h4-8,12-14H,9-10H2,1-3H3/t12-,13+,14+/m1/s1.
What are the key properties of 3-[(2R,3R,4R)-4-tert-butyl-5-oxo-2-phenyloxolane-3-carbonyl]-1,3-oxazolidin-2-one?
3-[(2R,3R,4R)-4-tert-butyl-5-oxo-2-phenyloxolane-3-carbonyl]-1,3-oxazolidin-2-one has a molecular weight of 331.37 g/mol, XLogP of 2.54, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2R,3R,4R)-4-tert-butyl-5-oxo-2-phenyloxolane-3-carbonyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 11438942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).