tert-butyl 2,2-dimethyl-4-propan-2-yl-1,3-oxazolidine-3-carboxylate

C13H25NO3 — CID 59668323

IUPACtert-butyl 2,2-dimethyl-4-propan-2-yl-1,3-oxazolidine-3-carboxylate
SMILESCC(C)C1COC(C)(C)N1C(=O)OC(C)(C)C
InChIInChI=1S/C13H25NO3/c1-9(2)10-8-16-13(6,7)14(10)11(15)17-12(3,4)5/h9-10H,8H2,1-7H3
InChIKeyGQOWTACLOSBHAD-UHFFFAOYSA-N
MW243.35 g/mol
LogP3.01
Rot. Bonds1

About tert-butyl 2,2-dimethyl-4-propan-2-yl-1,3-oxazolidine-3-carboxylate

tert-butyl 2,2-dimethyl-4-propan-2-yl-1,3-oxazolidine-3-carboxylate (PubChem CID 59668323) has the molecular formula C13H25NO3 and a molecular weight of 243.35 g/mol. Its IUPAC name is tert-butyl 2,2-dimethyl-4-propan-2-yl-1,3-oxazolidine-3-carboxylate.

Molecular Properties

Compound Nametert-butyl 2,2-dimethyl-4-propan-2-yl-1,3-oxazolidine-3-carboxylate
PubChem CID59668323
Molecular FormulaC13H25NO3
Molecular Weight243.35 g/mol
Exact Mass243.18
IUPAC Nametert-butyl 2,2-dimethyl-4-propan-2-yl-1,3-oxazolidine-3-carboxylate
SMILESCC(C)C1COC(C)(C)N1C(=O)OC(C)(C)C
InChIInChI=1S/C13H25NO3/c1-9(2)10-8-16-13(6,7)14(10)11(15)17-12(3,4)5/h9-10H,8H2,1-7H3
InChIKeyGQOWTACLOSBHAD-UHFFFAOYSA-N
XLogP3.01
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Tert-butyl 4-ethynyl-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 18366143
4-Isopropyl-3-propionyl-2-oxazolidinone
CID 190974
US10214537, Example 158
CID 57765494
US10214537, Example 162
CID 58799596
US10214537, Example 163
CID 132220338
tert-butyl (4R,5R)-4-ethynyl-2,2,5-trimethyl-1,3-oxazolidine-3-carboxylate
CID 12970128
(4R)-3-Propanoyl-4-(propan-2-yl)-1,3-oxazolidin-2-one
CID 643512
(S)-(+)-4-Isopropyl-3-propionyl-2-oxazolidinone
CID 853160
tert-Butyl (4R)-4-ethynyl-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 11096274
Tert-butyl 4-(iodomethyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 43810962
tert-butyl (4S,5S)-4-ethynyl-2,2,5-trimethyl-1,3-oxazolidine-3-carboxylate
CID 165650080
tert-butyl (4R)-2,2-dimethyl-4-(2-trimethylsilylethyl)-1,3-oxazolidine-3-carboxylate
CID 15383273

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2,2-dimethyl-4-propan-2-yl-1,3-oxazolidine-3-carboxylate?
The IUPAC name of tert-butyl 2,2-dimethyl-4-propan-2-yl-1,3-oxazolidine-3-carboxylate (CID 59668323) is tert-butyl 2,2-dimethyl-4-propan-2-yl-1,3-oxazolidine-3-carboxylate.
What is the SMILES notation for tert-butyl 2,2-dimethyl-4-propan-2-yl-1,3-oxazolidine-3-carboxylate?
The canonical SMILES for tert-butyl 2,2-dimethyl-4-propan-2-yl-1,3-oxazolidine-3-carboxylate is CC(C)C1COC(C)(C)N1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 2,2-dimethyl-4-propan-2-yl-1,3-oxazolidine-3-carboxylate?
The InChIKey is GQOWTACLOSBHAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO3/c1-9(2)10-8-16-13(6,7)14(10)11(15)17-12(3,4)5/h9-10H,8H2,1-7H3.
What are the key properties of tert-butyl 2,2-dimethyl-4-propan-2-yl-1,3-oxazolidine-3-carboxylate?
tert-butyl 2,2-dimethyl-4-propan-2-yl-1,3-oxazolidine-3-carboxylate has a molecular weight of 243.35 g/mol, XLogP of 3.01, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2,2-dimethyl-4-propan-2-yl-1,3-oxazolidine-3-carboxylate is sourced from PubChem (CID 59668323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).