benzyl (4R)-2-oxo-4-propan-2-yl-1,3-oxazolidine-4-carboxylate

C14H17NO4 — CID 11529058

IUPACbenzyl (4R)-2-oxo-4-propan-2-yl-1,3-oxazolidine-4-carboxylate
SMILESCC(C)[C@]1(C(=O)OCc2ccccc2)COC(=O)N1
InChIInChI=1S/C14H17NO4/c1-10(2)14(9-19-13(17)15-14)12(16)18-8-11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3,(H,15,17)/t14-/m0/s1
InChIKeyCMIITKYYPGSPDT-AWEZNQCLSA-N
MW263.29 g/mol
LogP1.86
Rot. Bonds4

About benzyl (4R)-2-oxo-4-propan-2-yl-1,3-oxazolidine-4-carboxylate

benzyl (4R)-2-oxo-4-propan-2-yl-1,3-oxazolidine-4-carboxylate (PubChem CID 11529058) has the molecular formula C14H17NO4 and a molecular weight of 263.29 g/mol. Its IUPAC name is benzyl (4R)-2-oxo-4-propan-2-yl-1,3-oxazolidine-4-carboxylate.

Molecular Properties

Compound Namebenzyl (4R)-2-oxo-4-propan-2-yl-1,3-oxazolidine-4-carboxylate
PubChem CID11529058
Molecular FormulaC14H17NO4
Molecular Weight263.29 g/mol
Exact Mass263.12
IUPAC Namebenzyl (4R)-2-oxo-4-propan-2-yl-1,3-oxazolidine-4-carboxylate
SMILESCC(C)[C@]1(C(=O)OCc2ccccc2)COC(=O)N1
InChIInChI=1S/C14H17NO4/c1-10(2)14(9-19-13(17)15-14)12(16)18-8-11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3,(H,15,17)/t14-/m0/s1
InChIKeyCMIITKYYPGSPDT-AWEZNQCLSA-N
XLogP1.86
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.29
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 67253255
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dibenzyl (1R,4R)-3,6-dioxo-2,5-diazabicyclo[2.2.2]octane-1,4-dicarboxylate
CID 101205282
benzyl (2S)-2-(hydroxymethyl)oxirane-2-carboxylate
CID 130249482
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benzyl (4S)-2,2,4-trimethyl-1,3-dioxolane-4-carboxylate
CID 67255511
benzyl (2R)-2-methyl-3-oxobutanoate
CID 101065434
benzyl 5-oxo-6a-propan-2-yl-3,3a,4,6-tetrahydro-2H-pyrrolo[3,2-b]pyrrole-1-carboxylate
CID 70293165
benzyl (4S)-4-benzyl-2-phenyl-5H-1,3-oxazole-4-carboxylate
CID 132551094
benzyl 1-[1-hydroxyethyl(methyl)amino]cyclopropane-1-carboxylate
CID 123712987
benzyl 2-(4-hydroxypiperidin-4-yl)propanoate
CID 135317783
benzyl (2S)-2-aminopropanoate
CID 726858

Frequently Asked Questions

What is the IUPAC name of benzyl (4R)-2-oxo-4-propan-2-yl-1,3-oxazolidine-4-carboxylate?
The IUPAC name of benzyl (4R)-2-oxo-4-propan-2-yl-1,3-oxazolidine-4-carboxylate (CID 11529058) is benzyl (4R)-2-oxo-4-propan-2-yl-1,3-oxazolidine-4-carboxylate.
What is the SMILES notation for benzyl (4R)-2-oxo-4-propan-2-yl-1,3-oxazolidine-4-carboxylate?
The canonical SMILES for benzyl (4R)-2-oxo-4-propan-2-yl-1,3-oxazolidine-4-carboxylate is CC(C)[C@]1(C(=O)OCc2ccccc2)COC(=O)N1.
What is the InChIKey of benzyl (4R)-2-oxo-4-propan-2-yl-1,3-oxazolidine-4-carboxylate?
The InChIKey is CMIITKYYPGSPDT-AWEZNQCLSA-N. The full InChI is InChI=1S/C14H17NO4/c1-10(2)14(9-19-13(17)15-14)12(16)18-8-11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3,(H,15,17)/t14-/m0/s1.
What are the key properties of benzyl (4R)-2-oxo-4-propan-2-yl-1,3-oxazolidine-4-carboxylate?
benzyl (4R)-2-oxo-4-propan-2-yl-1,3-oxazolidine-4-carboxylate has a molecular weight of 263.29 g/mol, XLogP of 1.86, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl (4R)-2-oxo-4-propan-2-yl-1,3-oxazolidine-4-carboxylate is sourced from PubChem (CID 11529058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).