benzyl 2-[(4R)-2-hydroxy-1,3-oxazolidin-4-yl]acetate

C12H15NO4 — CID 170406957

IUPACbenzyl 2-[(4R)-2-hydroxy-1,3-oxazolidin-4-yl]acetate
SMILESO=C(C[C@@H]1COC(O)N1)OCc1ccccc1
InChIInChI=1S/C12H15NO4/c14-11(6-10-8-17-12(15)13-10)16-7-9-4-2-1-3-5-9/h1-5,10,12-13,15H,6-8H2/t10-,12?/m1/s1
InChIKeyBGTCSLAXOBSUHY-RWANSRKNSA-N
MW237.26 g/mol
LogP0.38
Rot. Bonds4

About benzyl 2-[(4R)-2-hydroxy-1,3-oxazolidin-4-yl]acetate

benzyl 2-[(4R)-2-hydroxy-1,3-oxazolidin-4-yl]acetate (PubChem CID 170406957) has the molecular formula C12H15NO4 and a molecular weight of 237.26 g/mol. Its IUPAC name is benzyl 2-[(4R)-2-hydroxy-1,3-oxazolidin-4-yl]acetate.

Molecular Properties

Compound Namebenzyl 2-[(4R)-2-hydroxy-1,3-oxazolidin-4-yl]acetate
PubChem CID170406957
Molecular FormulaC12H15NO4
Molecular Weight237.26 g/mol
Exact Mass237.10
IUPAC Namebenzyl 2-[(4R)-2-hydroxy-1,3-oxazolidin-4-yl]acetate
SMILESO=C(C[C@@H]1COC(O)N1)OCc1ccccc1
InChIInChI=1S/C12H15NO4/c14-11(6-10-8-17-12(15)13-10)16-7-9-4-2-1-3-5-9/h1-5,10,12-13,15H,6-8H2/t10-,12?/m1/s1
InChIKeyBGTCSLAXOBSUHY-RWANSRKNSA-N
XLogP0.38
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of benzyl 2-[(4R)-2-hydroxy-1,3-oxazolidin-4-yl]acetate?
The IUPAC name of benzyl 2-[(4R)-2-hydroxy-1,3-oxazolidin-4-yl]acetate (CID 170406957) is benzyl 2-[(4R)-2-hydroxy-1,3-oxazolidin-4-yl]acetate.
What is the SMILES notation for benzyl 2-[(4R)-2-hydroxy-1,3-oxazolidin-4-yl]acetate?
The canonical SMILES for benzyl 2-[(4R)-2-hydroxy-1,3-oxazolidin-4-yl]acetate is O=C(C[C@@H]1COC(O)N1)OCc1ccccc1.
What is the InChIKey of benzyl 2-[(4R)-2-hydroxy-1,3-oxazolidin-4-yl]acetate?
The InChIKey is BGTCSLAXOBSUHY-RWANSRKNSA-N. The full InChI is InChI=1S/C12H15NO4/c14-11(6-10-8-17-12(15)13-10)16-7-9-4-2-1-3-5-9/h1-5,10,12-13,15H,6-8H2/t10-,12?/m1/s1.
What are the key properties of benzyl 2-[(4R)-2-hydroxy-1,3-oxazolidin-4-yl]acetate?
benzyl 2-[(4R)-2-hydroxy-1,3-oxazolidin-4-yl]acetate has a molecular weight of 237.26 g/mol, XLogP of 0.38, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2-[(4R)-2-hydroxy-1,3-oxazolidin-4-yl]acetate is sourced from PubChem (CID 170406957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).