benzyl 4,4-dimethyl-1,3-oxazolidine-3-carboxylate

C13H17NO3 — CID 110740655

IUPACbenzyl 4,4-dimethyl-1,3-oxazolidine-3-carboxylate
SMILESCC1(C)COCN1C(=O)OCc1ccccc1
InChIInChI=1S/C13H17NO3/c1-13(2)9-16-10-14(13)12(15)17-8-11-6-4-3-5-7-11/h3-7H,8-10H2,1-2H3
InChIKeyNEXHJIBRINZQJE-UHFFFAOYSA-N
MW235.28 g/mol
LogP2.39
Rot. Bonds2

About benzyl 4,4-dimethyl-1,3-oxazolidine-3-carboxylate

benzyl 4,4-dimethyl-1,3-oxazolidine-3-carboxylate (PubChem CID 110740655) has the molecular formula C13H17NO3 and a molecular weight of 235.28 g/mol. Its IUPAC name is benzyl 4,4-dimethyl-1,3-oxazolidine-3-carboxylate.

Molecular Properties

Compound Namebenzyl 4,4-dimethyl-1,3-oxazolidine-3-carboxylate
PubChem CID110740655
Molecular FormulaC13H17NO3
Molecular Weight235.28 g/mol
Exact Mass235.12
IUPAC Namebenzyl 4,4-dimethyl-1,3-oxazolidine-3-carboxylate
SMILESCC1(C)COCN1C(=O)OCc1ccccc1
InChIInChI=1S/C13H17NO3/c1-13(2)9-16-10-14(13)12(15)17-8-11-6-4-3-5-7-11/h3-7H,8-10H2,1-2H3
InChIKeyNEXHJIBRINZQJE-UHFFFAOYSA-N
XLogP2.39
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.28
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

benzyl 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate
CID 19783758
benzyl 5-hydroxy-2,2-dimethylazepane-1-carboxylate
CID 118230382
benzyl (4S)-4-benzyl-4-methyl-2,2-dioxooxathiazolidine-3-carboxylate
CID 171749290
benzyl (2S)-2-formyl-2-methylpyrrolidine-1-carboxylate
CID 86625219
1-methyl-2-phenylmethoxycarbonyl-3H-isoindole-1-carboxylic acid
CID 68746255
1-O-benzyl 2-O-methyl (2S)-2-methylpyrrolidine-1,2-dicarboxylate
CID 86326307
5-O-benzyl 8-O-ethyl 2-oxa-5-azaspiro[3.4]octane-5,8-dicarboxylate
CID 138109868
tribenzyl 1,4,7-triazonane-1,4,7-tricarboxylate
CID 54056276
1-O-benzyl 2-O-methyl 2-methylpiperidine-1,2-dicarboxylate
CID 25194780
3-methyl-1-phenylmethoxycarbonylazetidine-3-carboxylate
CID 91666202
(2R)-2-ethoxy-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid
CID 70104590
(3R)-3-methyl-4-methylidene-1-phenylmethoxycarbonylpyrrolidine-3-carboxylic acid
CID 68862416

Frequently Asked Questions

What is the IUPAC name of benzyl 4,4-dimethyl-1,3-oxazolidine-3-carboxylate?
The IUPAC name of benzyl 4,4-dimethyl-1,3-oxazolidine-3-carboxylate (CID 110740655) is benzyl 4,4-dimethyl-1,3-oxazolidine-3-carboxylate.
What is the SMILES notation for benzyl 4,4-dimethyl-1,3-oxazolidine-3-carboxylate?
The canonical SMILES for benzyl 4,4-dimethyl-1,3-oxazolidine-3-carboxylate is CC1(C)COCN1C(=O)OCc1ccccc1.
What is the InChIKey of benzyl 4,4-dimethyl-1,3-oxazolidine-3-carboxylate?
The InChIKey is NEXHJIBRINZQJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3/c1-13(2)9-16-10-14(13)12(15)17-8-11-6-4-3-5-7-11/h3-7H,8-10H2,1-2H3.
What are the key properties of benzyl 4,4-dimethyl-1,3-oxazolidine-3-carboxylate?
benzyl 4,4-dimethyl-1,3-oxazolidine-3-carboxylate has a molecular weight of 235.28 g/mol, XLogP of 2.39, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 4,4-dimethyl-1,3-oxazolidine-3-carboxylate is sourced from PubChem (CID 110740655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).