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

C16H22BrNO3 — CID 164875432

IUPACtert-butyl (4R)-4-(4-bromophenyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
SMILESCC(C)(C)OC(=O)N1[C@H](c2ccc(Br)cc2)COC1(C)C
InChIInChI=1S/C16H22BrNO3/c1-15(2,3)21-14(19)18-13(10-20-16(18,4)5)11-6-8-12(17)9-7-11/h6-9,13H,10H2,1-5H3/t13-/m0/s1
InChIKeyFRFQRMXAZSMEPG-ZDUSSCGKSA-N
MW356.26 g/mol
LogP4.49
Rot. Bonds1

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

tert-butyl (4R)-4-(4-bromophenyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate (PubChem CID 164875432) has the molecular formula C16H22BrNO3 and a molecular weight of 356.26 g/mol. Its IUPAC name is tert-butyl (4R)-4-(4-bromophenyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate.

Molecular Properties

Compound Nametert-butyl (4R)-4-(4-bromophenyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
PubChem CID164875432
Molecular FormulaC16H22BrNO3
Molecular Weight356.26 g/mol
Exact Mass355.08
IUPAC Nametert-butyl (4R)-4-(4-bromophenyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
SMILESCC(C)(C)OC(=O)N1[C@H](c2ccc(Br)cc2)COC1(C)C
InChIInChI=1S/C16H22BrNO3/c1-15(2,3)21-14(19)18-13(10-20-16(18,4)5)11-6-8-12(17)9-7-11/h6-9,13H,10H2,1-5H3/t13-/m0/s1
InChIKeyFRFQRMXAZSMEPG-ZDUSSCGKSA-N
XLogP4.49
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.26
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl (4R)-4-(4-bromophenyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?
The IUPAC name of tert-butyl (4R)-4-(4-bromophenyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate (CID 164875432) is tert-butyl (4R)-4-(4-bromophenyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate.
What is the SMILES notation for tert-butyl (4R)-4-(4-bromophenyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?
The canonical SMILES for tert-butyl (4R)-4-(4-bromophenyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate is CC(C)(C)OC(=O)N1[C@H](c2ccc(Br)cc2)COC1(C)C.
What is the InChIKey of tert-butyl (4R)-4-(4-bromophenyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?
The InChIKey is FRFQRMXAZSMEPG-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H22BrNO3/c1-15(2,3)21-14(19)18-13(10-20-16(18,4)5)11-6-8-12(17)9-7-11/h6-9,13H,10H2,1-5H3/t13-/m0/s1.
What are the key properties of tert-butyl (4R)-4-(4-bromophenyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?
tert-butyl (4R)-4-(4-bromophenyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate has a molecular weight of 356.26 g/mol, XLogP of 4.49, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (4R)-4-(4-bromophenyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate is sourced from PubChem (CID 164875432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).