benzyl (4R)-4-formyl-2,2-dimethyl-1,3-oxazolidine-3-carboxylate

C14H17NO4 — CID 11414364

IUPACbenzyl (4R)-4-formyl-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
SMILESCC1(C)OC[C@H](C=O)N1C(=O)OCc1ccccc1
InChIInChI=1S/C14H17NO4/c1-14(2)15(12(8-16)10-19-14)13(17)18-9-11-6-4-3-5-7-11/h3-8,12H,9-10H2,1-2H3/t12-/m0/s1
InChIKeyHMOZTZIZWRRDMM-LBPRGKRZSA-N
MW263.29 g/mol
LogP1.96
Rot. Bonds3

About benzyl (4R)-4-formyl-2,2-dimethyl-1,3-oxazolidine-3-carboxylate

benzyl (4R)-4-formyl-2,2-dimethyl-1,3-oxazolidine-3-carboxylate (PubChem CID 11414364) has the molecular formula C14H17NO4 and a molecular weight of 263.29 g/mol. Its IUPAC name is benzyl (4R)-4-formyl-2,2-dimethyl-1,3-oxazolidine-3-carboxylate.

Molecular Properties

Compound Namebenzyl (4R)-4-formyl-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
PubChem CID11414364
Molecular FormulaC14H17NO4
Molecular Weight263.29 g/mol
Exact Mass263.12
IUPAC Namebenzyl (4R)-4-formyl-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
SMILESCC1(C)OC[C@H](C=O)N1C(=O)OCc1ccccc1
InChIInChI=1S/C14H17NO4/c1-14(2)15(12(8-16)10-19-14)13(17)18-9-11-6-4-3-5-7-11/h3-8,12H,9-10H2,1-2H3/t12-/m0/s1
InChIKeyHMOZTZIZWRRDMM-LBPRGKRZSA-N
XLogP1.96
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.29
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

benzyl (4R)-2,2-dimethyl-4-(phenylmethoxymethyl)-1,3-oxazolidine-3-carboxylate
CID 11002753
benzyl (4R)-4-[(E)-2-[4-[(E)-2-[(4R)-2,2-dimethyl-3-phenylmethoxycarbonyl-1,3-oxazolidin-4-yl]ethenyl]-1-methylpyrrol-3-yl]ethenyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 101170009
benzyl (4S)-2,2-dimethyl-4-[(E)-3-[(2-methylpropan-2-yl)oxy]-3-oxoprop-1-enyl]-1,3-oxazolidine-3-carboxylate
CID 146673646
benzyl 4-(hydroxymethyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 14633851
benzyl 4-(3-hydroxypropyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 67079773
benzyl (4S)-4-[(1R,3R)-1,3-dihydroxybutyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 11537097
benzyl (3S)-3-ethenyl-1-oxa-4-azaspiro[4.4]nonane-4-carboxylate
CID 176639056
benzyl (4R)-4-[[(2-ethoxy-2-oxoethyl)-methylamino]methyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 10808764
(4S)-4-formyl-2,2-dimethyl-1,3-oxazolidine-3-carboxylic acid
CID 57042631
benzyl (4R)-4-[(1R,2S)-1,2-dihydroxy-3-oxo-4-[(2R,3S,4R,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]butyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 101153021
benzyl 4-benzyl-5-hydroxy-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 142626217
benzyl (4R)-2,2-dimethyl-4-[(3-nitrophenoxy)methyl]-1,3-oxazolidine-3-carboxylate
CID 74223527

Frequently Asked Questions

What is the IUPAC name of benzyl (4R)-4-formyl-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?
The IUPAC name of benzyl (4R)-4-formyl-2,2-dimethyl-1,3-oxazolidine-3-carboxylate (CID 11414364) is benzyl (4R)-4-formyl-2,2-dimethyl-1,3-oxazolidine-3-carboxylate.
What is the SMILES notation for benzyl (4R)-4-formyl-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?
The canonical SMILES for benzyl (4R)-4-formyl-2,2-dimethyl-1,3-oxazolidine-3-carboxylate is CC1(C)OC[C@H](C=O)N1C(=O)OCc1ccccc1.
What is the InChIKey of benzyl (4R)-4-formyl-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?
The InChIKey is HMOZTZIZWRRDMM-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H17NO4/c1-14(2)15(12(8-16)10-19-14)13(17)18-9-11-6-4-3-5-7-11/h3-8,12H,9-10H2,1-2H3/t12-/m0/s1.
What are the key properties of benzyl (4R)-4-formyl-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?
benzyl (4R)-4-formyl-2,2-dimethyl-1,3-oxazolidine-3-carboxylate has a molecular weight of 263.29 g/mol, XLogP of 1.96, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl (4R)-4-formyl-2,2-dimethyl-1,3-oxazolidine-3-carboxylate is sourced from PubChem (CID 11414364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).