benzyl 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate

C15H21NO3 — CID 19783758

IUPACbenzyl 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate
SMILESCC1(C)COC(C)(C)N1C(=O)OCc1ccccc1
InChIInChI=1S/C15H21NO3/c1-14(2)11-19-15(3,4)16(14)13(17)18-10-12-8-6-5-7-9-12/h5-9H,10-11H2,1-4H3
InChIKeyZDTJPDZLZOSPRW-UHFFFAOYSA-N
MW263.34 g/mol
LogP3.17
Rot. Bonds2

About benzyl 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate

benzyl 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate (PubChem CID 19783758) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is benzyl 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate.

Molecular Properties

Compound Namebenzyl 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate
PubChem CID19783758
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Namebenzyl 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate
SMILESCC1(C)COC(C)(C)N1C(=O)OCc1ccccc1
InChIInChI=1S/C15H21NO3/c1-14(2)11-19-15(3,4)16(14)13(17)18-10-12-8-6-5-7-9-12/h5-9H,10-11H2,1-4H3
InChIKeyZDTJPDZLZOSPRW-UHFFFAOYSA-N
XLogP3.17
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

benzyl 4,4-dimethyl-1,3-oxazolidine-3-carboxylate
CID 110740655
[(2R)-3-cyclopropyl-2-(dibenzylamino)propyl] 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate
CID 102092048
[(2S,5S)-2-(dibenzylamino)-5-(2,2,4,4-tetramethyl-1,3-oxazolidine-3-carbonyl)oxyhexyl] 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate
CID 134973276
propyl 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate
CID 177436139
[(3S)-3-(dibenzylamino)-5-oxo-4-(2,2,4,4-tetramethyl-1,3-oxazolidine-3-carbonyl)oxyheptyl] 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate
CID 134924728
[(2S,3R)-3-(dibenzylamino)-1-methoxy-1-oxopentan-2-yl] 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate
CID 101080526
[(1R,2S)-2-[(R)-deuterio(phenyl)methyl]cyclopentyl] 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate
CID 101001504
[(2R,3S)-3-(dibenzylamino)-5-methylhexan-2-yl] 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate
CID 14945800
benzyl (4S)-4-[(1R,3R)-1,3-dihydroxybutyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 11537097
1-O-benzyl 4-O-methyl 4-acetamido-2,2,6,6-tetramethylpiperidine-1,4-dicarboxylate
CID 22766559
benzyl (4R)-4-formyl-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 11414364
benzyl 4-(hydroxymethyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 14633851

Frequently Asked Questions

What is the IUPAC name of benzyl 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate?
The IUPAC name of benzyl 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate (CID 19783758) is benzyl 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate.
What is the SMILES notation for benzyl 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate?
The canonical SMILES for benzyl 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate is CC1(C)COC(C)(C)N1C(=O)OCc1ccccc1.
What is the InChIKey of benzyl 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate?
The InChIKey is ZDTJPDZLZOSPRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-14(2)11-19-15(3,4)16(14)13(17)18-10-12-8-6-5-7-9-12/h5-9H,10-11H2,1-4H3.
What are the key properties of benzyl 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate?
benzyl 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate has a molecular weight of 263.34 g/mol, XLogP of 3.17, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate is sourced from PubChem (CID 19783758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).