benzyl (4S)-5-hydroxy-4-propan-2-yl-1,3-oxazolidine-3-carboxylate

C14H19NO4 — CID 11737177

IUPACbenzyl (4S)-5-hydroxy-4-propan-2-yl-1,3-oxazolidine-3-carboxylate
SMILESCC(C)[C@H]1C(O)OCN1C(=O)OCc1ccccc1
InChIInChI=1S/C14H19NO4/c1-10(2)12-13(16)19-9-15(12)14(17)18-8-11-6-4-3-5-7-11/h3-7,10,12-13,16H,8-9H2,1-2H3/t12-,13?/m0/s1
InChIKeyKZYJBYAYTABFJD-UEWDXFNNSA-N
MW265.31 g/mol
LogP1.96
Rot. Bonds3

About benzyl (4S)-5-hydroxy-4-propan-2-yl-1,3-oxazolidine-3-carboxylate

benzyl (4S)-5-hydroxy-4-propan-2-yl-1,3-oxazolidine-3-carboxylate (PubChem CID 11737177) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is benzyl (4S)-5-hydroxy-4-propan-2-yl-1,3-oxazolidine-3-carboxylate.

Molecular Properties

Compound Namebenzyl (4S)-5-hydroxy-4-propan-2-yl-1,3-oxazolidine-3-carboxylate
PubChem CID11737177
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC Namebenzyl (4S)-5-hydroxy-4-propan-2-yl-1,3-oxazolidine-3-carboxylate
SMILESCC(C)[C@H]1C(O)OCN1C(=O)OCc1ccccc1
InChIInChI=1S/C14H19NO4/c1-10(2)12-13(16)19-9-15(12)14(17)18-8-11-6-4-3-5-7-11/h3-7,10,12-13,16H,8-9H2,1-2H3/t12-,13?/m0/s1
InChIKeyKZYJBYAYTABFJD-UEWDXFNNSA-N
XLogP1.96
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

benzyl (2S,3S)-3-hydroxy-4-methyl-2-propan-2-yl-3,6-dihydro-2H-pyridine-1-carboxylate
CID 102455891
(4S)-3-phenylmethoxycarbonyl-1,3-oxazolidine-4-carboxylic acid
CID 688328
3-O-benzyl 4-O-methyl (4S)-1,3-oxazolidine-3,4-dicarboxylate
CID 14630870
benzyl (2S)-5-hydroxy-4-methyl-3-oxo-2-propan-2-ylpiperidine-1-carboxylate
CID 71619529
benzyl (2S,5R)-5-hydroxy-2-methylpiperidine-1-carboxylate
CID 97112056
benzyl (2R)-5-hydroxy-2-methylpiperidine-1-carboxylate
CID 86724500
benzyl 4-methyl-5-oxo-1,3-oxazolidine-3-carboxylate
CID 3982420
benzyl (2R)-2-[(2R)-2-hydroxypropyl]pyrrolidine-1-carboxylate
CID 101038867
benzyl (2S)-2-[(2S)-2-aminopropanoyl]pyrrolidine-1-carboxylate
CID 10869549
benzyl (4S)-2-methyl-4-propan-2-yl-1,3-oxazolidine-3-carboxylate
CID 138980716
benzyl 6-methyl-3,6-diazabicyclo[3.1.0]hexane-3-carboxylate
CID 178029829
benzyl (2S,3R)-2-[(1R)-1,2-dihydroxyethyl]-3-hydroxyazetidine-1-carboxylate
CID 132603778

Frequently Asked Questions

What is the IUPAC name of benzyl (4S)-5-hydroxy-4-propan-2-yl-1,3-oxazolidine-3-carboxylate?
The IUPAC name of benzyl (4S)-5-hydroxy-4-propan-2-yl-1,3-oxazolidine-3-carboxylate (CID 11737177) is benzyl (4S)-5-hydroxy-4-propan-2-yl-1,3-oxazolidine-3-carboxylate.
What is the SMILES notation for benzyl (4S)-5-hydroxy-4-propan-2-yl-1,3-oxazolidine-3-carboxylate?
The canonical SMILES for benzyl (4S)-5-hydroxy-4-propan-2-yl-1,3-oxazolidine-3-carboxylate is CC(C)[C@H]1C(O)OCN1C(=O)OCc1ccccc1.
What is the InChIKey of benzyl (4S)-5-hydroxy-4-propan-2-yl-1,3-oxazolidine-3-carboxylate?
The InChIKey is KZYJBYAYTABFJD-UEWDXFNNSA-N. The full InChI is InChI=1S/C14H19NO4/c1-10(2)12-13(16)19-9-15(12)14(17)18-8-11-6-4-3-5-7-11/h3-7,10,12-13,16H,8-9H2,1-2H3/t12-,13?/m0/s1.
What are the key properties of benzyl (4S)-5-hydroxy-4-propan-2-yl-1,3-oxazolidine-3-carboxylate?
benzyl (4S)-5-hydroxy-4-propan-2-yl-1,3-oxazolidine-3-carboxylate has a molecular weight of 265.31 g/mol, XLogP of 1.96, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl (4S)-5-hydroxy-4-propan-2-yl-1,3-oxazolidine-3-carboxylate is sourced from PubChem (CID 11737177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).