tert-butyl 4-(bromomethyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate

C11H20BrNO3 — CID 43810864

IUPACtert-butyl 4-(bromomethyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
SMILESCC(C)(C)OC(=O)N1C(CBr)COC1(C)C
InChIInChI=1S/C11H20BrNO3/c1-10(2,3)16-9(14)13-8(6-12)7-15-11(13,4)5/h8H,6-7H2,1-5H3
InChIKeyUTFPBVQWEAFHRD-UHFFFAOYSA-N
MW294.19 g/mol
LogP2.75
Rot. Bonds1

About tert-butyl 4-(bromomethyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate

tert-butyl 4-(bromomethyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate (PubChem CID 43810864) has the molecular formula C11H20BrNO3 and a molecular weight of 294.19 g/mol. Its IUPAC name is tert-butyl 4-(bromomethyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(bromomethyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
PubChem CID43810864
Molecular FormulaC11H20BrNO3
Molecular Weight294.19 g/mol
Exact Mass293.06
IUPAC Nametert-butyl 4-(bromomethyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
SMILESCC(C)(C)OC(=O)N1C(CBr)COC1(C)C
InChIInChI=1S/C11H20BrNO3/c1-10(2,3)16-9(14)13-8(6-12)7-15-11(13,4)5/h8H,6-7H2,1-5H3
InChIKeyUTFPBVQWEAFHRD-UHFFFAOYSA-N
XLogP2.75
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.19
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

tert-butyl (4S)-4-(3-bromopropyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 59229635
tert-Butyl (2-(2-bromoethoxy)ethyl)(methyl)carbamate
CID 130492424
tert-butyl (4R)-4-(bromomethyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 25324506
tert-butyl (4S,5R)-4-(bromomethyl)-2,2,5-trimethyl-1,3-oxazolidine-3-carboxylate
CID 25324510
Tert-butyl 4-(iodomethyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 43810962
Tert-butyl 4-(bromomethyl)-2,2,5-trimethyl-1,3-oxazolidine-3-carboxylate
CID 74420488
Tert-butyl 3-(3-bromopropoxy)pyrrolidine-1-carboxylate
CID 121597655
Tert-butyl 3-(bromomethyl)-3-methoxypyrrolidine-1-carboxylate
CID 155973538
tert-butyl (4R)-4-(3-bromopropyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 155973806
tert-butyl (2R,4R)-2-(bromomethyl)-4-methoxypyrrolidine-1-carboxylate
CID 165945574
tert-butyl (4R)-2,2,4-trimethyl-1,3-oxazolidine-3-carboxylate
CID 15331208
Tert-butyl 2,2,4-trimethyl-1,3-oxazolidine-3-carboxylate
CID 20647370

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(bromomethyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?
The IUPAC name of tert-butyl 4-(bromomethyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate (CID 43810864) is tert-butyl 4-(bromomethyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate.
What is the SMILES notation for tert-butyl 4-(bromomethyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?
The canonical SMILES for tert-butyl 4-(bromomethyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate is CC(C)(C)OC(=O)N1C(CBr)COC1(C)C.
What is the InChIKey of tert-butyl 4-(bromomethyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?
The InChIKey is UTFPBVQWEAFHRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20BrNO3/c1-10(2,3)16-9(14)13-8(6-12)7-15-11(13,4)5/h8H,6-7H2,1-5H3.
What are the key properties of tert-butyl 4-(bromomethyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?
tert-butyl 4-(bromomethyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate has a molecular weight of 294.19 g/mol, XLogP of 2.75, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(bromomethyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate is sourced from PubChem (CID 43810864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).