tert-butyl 2,2-dimethyl-4-(5-oxo-4-propan-2-yloxolan-2-yl)-1,3-oxazolidine-3-carboxylate

C17H29NO5 — CID 68861735

IUPACtert-butyl 2,2-dimethyl-4-(5-oxo-4-propan-2-yloxolan-2-yl)-1,3-oxazolidine-3-carboxylate
SMILESCC(C)C1CC(C2COC(C)(C)N2C(=O)OC(C)(C)C)OC1=O
InChIInChI=1S/C17H29NO5/c1-10(2)11-8-13(22-14(11)19)12-9-21-17(6,7)18(12)15(20)23-16(3,4)5/h10-13H,8-9H2,1-7H3
InChIKeyZVHBWOHSKCIERG-UHFFFAOYSA-N
MW327.42 g/mol
LogP2.95
Rot. Bonds2

About tert-butyl 2,2-dimethyl-4-(5-oxo-4-propan-2-yloxolan-2-yl)-1,3-oxazolidine-3-carboxylate

tert-butyl 2,2-dimethyl-4-(5-oxo-4-propan-2-yloxolan-2-yl)-1,3-oxazolidine-3-carboxylate (PubChem CID 68861735) has the molecular formula C17H29NO5 and a molecular weight of 327.42 g/mol. Its IUPAC name is tert-butyl 2,2-dimethyl-4-(5-oxo-4-propan-2-yloxolan-2-yl)-1,3-oxazolidine-3-carboxylate.

Molecular Properties

Compound Nametert-butyl 2,2-dimethyl-4-(5-oxo-4-propan-2-yloxolan-2-yl)-1,3-oxazolidine-3-carboxylate
PubChem CID68861735
Molecular FormulaC17H29NO5
Molecular Weight327.42 g/mol
Exact Mass327.20
IUPAC Nametert-butyl 2,2-dimethyl-4-(5-oxo-4-propan-2-yloxolan-2-yl)-1,3-oxazolidine-3-carboxylate
SMILESCC(C)C1CC(C2COC(C)(C)N2C(=O)OC(C)(C)C)OC1=O
InChIInChI=1S/C17H29NO5/c1-10(2)11-8-13(22-14(11)19)12-9-21-17(6,7)18(12)15(20)23-16(3,4)5/h10-13H,8-9H2,1-7H3
InChIKeyZVHBWOHSKCIERG-UHFFFAOYSA-N
XLogP2.95
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.42
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 2,2-dimethyl-4-(5-oxo-4-propan-2-yloxolan-2-yl)-1,3-oxazolidine-3-carboxylate?
The IUPAC name of tert-butyl 2,2-dimethyl-4-(5-oxo-4-propan-2-yloxolan-2-yl)-1,3-oxazolidine-3-carboxylate (CID 68861735) is tert-butyl 2,2-dimethyl-4-(5-oxo-4-propan-2-yloxolan-2-yl)-1,3-oxazolidine-3-carboxylate.
What is the SMILES notation for tert-butyl 2,2-dimethyl-4-(5-oxo-4-propan-2-yloxolan-2-yl)-1,3-oxazolidine-3-carboxylate?
The canonical SMILES for tert-butyl 2,2-dimethyl-4-(5-oxo-4-propan-2-yloxolan-2-yl)-1,3-oxazolidine-3-carboxylate is CC(C)C1CC(C2COC(C)(C)N2C(=O)OC(C)(C)C)OC1=O.
What is the InChIKey of tert-butyl 2,2-dimethyl-4-(5-oxo-4-propan-2-yloxolan-2-yl)-1,3-oxazolidine-3-carboxylate?
The InChIKey is ZVHBWOHSKCIERG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO5/c1-10(2)11-8-13(22-14(11)19)12-9-21-17(6,7)18(12)15(20)23-16(3,4)5/h10-13H,8-9H2,1-7H3.
What are the key properties of tert-butyl 2,2-dimethyl-4-(5-oxo-4-propan-2-yloxolan-2-yl)-1,3-oxazolidine-3-carboxylate?
tert-butyl 2,2-dimethyl-4-(5-oxo-4-propan-2-yloxolan-2-yl)-1,3-oxazolidine-3-carboxylate has a molecular weight of 327.42 g/mol, XLogP of 2.95, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2,2-dimethyl-4-(5-oxo-4-propan-2-yloxolan-2-yl)-1,3-oxazolidine-3-carboxylate is sourced from PubChem (CID 68861735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).