benzyl (4S)-4-(hydroxymethyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate

C14H19NO4 — CID 10967416

IUPACbenzyl (4S)-4-(hydroxymethyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
SMILESCC1(C)OC[C@H](CO)N1C(=O)OCc1ccccc1
InChIInChI=1S/C14H19NO4/c1-14(2)15(12(8-16)10-19-14)13(17)18-9-11-6-4-3-5-7-11/h3-7,12,16H,8-10H2,1-2H3/t12-/m0/s1
InChIKeyAPDPVSVYWSMCJA-LBPRGKRZSA-N
MW265.31 g/mol
LogP1.75
Rot. Bonds3

About benzyl (4S)-4-(hydroxymethyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate

benzyl (4S)-4-(hydroxymethyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate (PubChem CID 10967416) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is benzyl (4S)-4-(hydroxymethyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate.

Molecular Properties

Compound Namebenzyl (4S)-4-(hydroxymethyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
PubChem CID10967416
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC Namebenzyl (4S)-4-(hydroxymethyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
SMILESCC1(C)OC[C@H](CO)N1C(=O)OCc1ccccc1
InChIInChI=1S/C14H19NO4/c1-14(2)15(12(8-16)10-19-14)13(17)18-9-11-6-4-3-5-7-11/h3-7,12,16H,8-10H2,1-2H3/t12-/m0/s1
InChIKeyAPDPVSVYWSMCJA-LBPRGKRZSA-N
XLogP1.75
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 ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of benzyl (4S)-4-(hydroxymethyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?
The IUPAC name of benzyl (4S)-4-(hydroxymethyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate (CID 10967416) is benzyl (4S)-4-(hydroxymethyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate.
What is the SMILES notation for benzyl (4S)-4-(hydroxymethyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?
The canonical SMILES for benzyl (4S)-4-(hydroxymethyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate is CC1(C)OC[C@H](CO)N1C(=O)OCc1ccccc1.
What is the InChIKey of benzyl (4S)-4-(hydroxymethyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?
The InChIKey is APDPVSVYWSMCJA-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H19NO4/c1-14(2)15(12(8-16)10-19-14)13(17)18-9-11-6-4-3-5-7-11/h3-7,12,16H,8-10H2,1-2H3/t12-/m0/s1.
What are the key properties of benzyl (4S)-4-(hydroxymethyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?
benzyl (4S)-4-(hydroxymethyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate has a molecular weight of 265.31 g/mol, XLogP of 1.75, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl (4S)-4-(hydroxymethyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate is sourced from PubChem (CID 10967416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).