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

C18H21NO5 — CID 72961866

IUPAC3-(4-tert-butyl-5-oxo-2-phenyloxolane-3-carbonyl)-1,3-oxazolidin-2-one
SMILESCC(C)(C)C1C(=O)OC(c2ccccc2)C1C(=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
InChIKeyLVGLDQPIQBKDDP-UHFFFAOYSA-N
MW331.37 g/mol
LogP2.54
Rot. Bonds2

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

3-(4-tert-butyl-5-oxo-2-phenyloxolane-3-carbonyl)-1,3-oxazolidin-2-one (PubChem CID 72961866) has the molecular formula C18H21NO5 and a molecular weight of 331.37 g/mol. Its IUPAC name is 3-(4-tert-butyl-5-oxo-2-phenyloxolane-3-carbonyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-(4-tert-butyl-5-oxo-2-phenyloxolane-3-carbonyl)-1,3-oxazolidin-2-one
PubChem CID72961866
Molecular FormulaC18H21NO5
Molecular Weight331.37 g/mol
Exact Mass331.14
IUPAC Name3-(4-tert-butyl-5-oxo-2-phenyloxolane-3-carbonyl)-1,3-oxazolidin-2-one
SMILESCC(C)(C)C1C(=O)OC(c2ccccc2)C1C(=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
InChIKeyLVGLDQPIQBKDDP-UHFFFAOYSA-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-(4-tert-butyl-5-oxo-2-phenyloxolane-3-carbonyl)-1,3-oxazolidin-2-one?
The IUPAC name of 3-(4-tert-butyl-5-oxo-2-phenyloxolane-3-carbonyl)-1,3-oxazolidin-2-one (CID 72961866) is 3-(4-tert-butyl-5-oxo-2-phenyloxolane-3-carbonyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-(4-tert-butyl-5-oxo-2-phenyloxolane-3-carbonyl)-1,3-oxazolidin-2-one?
The canonical SMILES for 3-(4-tert-butyl-5-oxo-2-phenyloxolane-3-carbonyl)-1,3-oxazolidin-2-one is CC(C)(C)C1C(=O)OC(c2ccccc2)C1C(=O)N1CCOC1=O.
What is the InChIKey of 3-(4-tert-butyl-5-oxo-2-phenyloxolane-3-carbonyl)-1,3-oxazolidin-2-one?
The InChIKey is LVGLDQPIQBKDDP-UHFFFAOYSA-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.
What are the key properties of 3-(4-tert-butyl-5-oxo-2-phenyloxolane-3-carbonyl)-1,3-oxazolidin-2-one?
3-(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-(4-tert-butyl-5-oxo-2-phenyloxolane-3-carbonyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 72961866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).