benzyl 2-tert-butyl-4-(hydroxymethyl)-4-methyl-1,3-oxazolidine-3-carboxylate

C17H25NO4 — CID 11573109

IUPACbenzyl 2-tert-butyl-4-(hydroxymethyl)-4-methyl-1,3-oxazolidine-3-carboxylate
SMILESCC(C)(C)C1OCC(C)(CO)N1C(=O)OCc1ccccc1
InChIInChI=1S/C17H25NO4/c1-16(2,3)14-18(17(4,11-19)12-22-14)15(20)21-10-13-8-6-5-7-9-13/h5-9,14,19H,10-12H2,1-4H3
InChIKeyDBMNIAZZDSVXCG-UHFFFAOYSA-N
MW307.39 g/mol
LogP2.78
Rot. Bonds3

About benzyl 2-tert-butyl-4-(hydroxymethyl)-4-methyl-1,3-oxazolidine-3-carboxylate

benzyl 2-tert-butyl-4-(hydroxymethyl)-4-methyl-1,3-oxazolidine-3-carboxylate (PubChem CID 11573109) has the molecular formula C17H25NO4 and a molecular weight of 307.39 g/mol. Its IUPAC name is benzyl 2-tert-butyl-4-(hydroxymethyl)-4-methyl-1,3-oxazolidine-3-carboxylate.

Molecular Properties

Compound Namebenzyl 2-tert-butyl-4-(hydroxymethyl)-4-methyl-1,3-oxazolidine-3-carboxylate
PubChem CID11573109
Molecular FormulaC17H25NO4
Molecular Weight307.39 g/mol
Exact Mass307.18
IUPAC Namebenzyl 2-tert-butyl-4-(hydroxymethyl)-4-methyl-1,3-oxazolidine-3-carboxylate
SMILESCC(C)(C)C1OCC(C)(CO)N1C(=O)OCc1ccccc1
InChIInChI=1S/C17H25NO4/c1-16(2,3)14-18(17(4,11-19)12-22-14)15(20)21-10-13-8-6-5-7-9-13/h5-9,14,19H,10-12H2,1-4H3
InChIKeyDBMNIAZZDSVXCG-UHFFFAOYSA-N
XLogP2.78
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

benzyl 4-(hydroxymethyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 14633851
benzyl (2S,4S)-2-tert-butyl-4-methyl-5-oxo-1,3-oxazolidine-3-carboxylate
CID 57221945
benzyl (4R)-4-formyl-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 11414364
3-O-tert-butyl 4-O-methyl (2R,4S)-4-benzyl-2-tert-butyl-1,3-oxazolidine-3,4-dicarboxylate
CID 11394792
benzyl (5R)-5-(2-hydroxyethyl)-2,2-dimethylpyrrolidine-1-carboxylate
CID 131865074
benzyl (4R)-2,2-dimethyl-4-(phenylmethoxymethyl)-1,3-oxazolidine-3-carboxylate
CID 11002753
benzyl 4-(3-hydroxypropyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 67079773
3-tert-butyl-1-phenylmethoxycarbonylazetidine-3-carboxylic acid
CID 91090343
benzyl 4-(1-amino-2-methyl-1-oxopropan-2-yl)piperazine-1-carboxylate
CID 122428094
benzyl 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate
CID 19783758
benzyl 4,4-dimethyl-1,3-oxazolidine-3-carboxylate
CID 110740655
4-O-benzyl 1-O-tert-butyl 2-(hydroxymethyl)-2-methylpiperazine-1,4-dicarboxylate
CID 178167001

Frequently Asked Questions

What is the IUPAC name of benzyl 2-tert-butyl-4-(hydroxymethyl)-4-methyl-1,3-oxazolidine-3-carboxylate?
The IUPAC name of benzyl 2-tert-butyl-4-(hydroxymethyl)-4-methyl-1,3-oxazolidine-3-carboxylate (CID 11573109) is benzyl 2-tert-butyl-4-(hydroxymethyl)-4-methyl-1,3-oxazolidine-3-carboxylate.
What is the SMILES notation for benzyl 2-tert-butyl-4-(hydroxymethyl)-4-methyl-1,3-oxazolidine-3-carboxylate?
The canonical SMILES for benzyl 2-tert-butyl-4-(hydroxymethyl)-4-methyl-1,3-oxazolidine-3-carboxylate is CC(C)(C)C1OCC(C)(CO)N1C(=O)OCc1ccccc1.
What is the InChIKey of benzyl 2-tert-butyl-4-(hydroxymethyl)-4-methyl-1,3-oxazolidine-3-carboxylate?
The InChIKey is DBMNIAZZDSVXCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO4/c1-16(2,3)14-18(17(4,11-19)12-22-14)15(20)21-10-13-8-6-5-7-9-13/h5-9,14,19H,10-12H2,1-4H3.
What are the key properties of benzyl 2-tert-butyl-4-(hydroxymethyl)-4-methyl-1,3-oxazolidine-3-carboxylate?
benzyl 2-tert-butyl-4-(hydroxymethyl)-4-methyl-1,3-oxazolidine-3-carboxylate has a molecular weight of 307.39 g/mol, XLogP of 2.78, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2-tert-butyl-4-(hydroxymethyl)-4-methyl-1,3-oxazolidine-3-carboxylate is sourced from PubChem (CID 11573109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).