benzyl (4S)-4-benzyl-5-oxo-1,3-oxazolidine-3-carboxylate

C18H17NO4 — CID 819481

IUPACbenzyl (4S)-4-benzyl-5-oxo-1,3-oxazolidine-3-carboxylate
SMILESO=C1OCN(C(=O)OCc2ccccc2)[C@H]1Cc1ccccc1
InChIInChI=1S/C18H17NO4/c20-17-16(11-14-7-3-1-4-8-14)19(13-23-17)18(21)22-12-15-9-5-2-6-10-15/h1-10,16H,11-13H2/t16-/m0/s1
InChIKeyJUKOCCGVSRMWMD-INIZCTEOSA-N
MW311.34 g/mol
LogP2.75
Rot. Bonds4

About benzyl (4S)-4-benzyl-5-oxo-1,3-oxazolidine-3-carboxylate

benzyl (4S)-4-benzyl-5-oxo-1,3-oxazolidine-3-carboxylate (PubChem CID 819481) has the molecular formula C18H17NO4 and a molecular weight of 311.34 g/mol. Its IUPAC name is benzyl (4S)-4-benzyl-5-oxo-1,3-oxazolidine-3-carboxylate.

Molecular Properties

Compound Namebenzyl (4S)-4-benzyl-5-oxo-1,3-oxazolidine-3-carboxylate
PubChem CID819481
Molecular FormulaC18H17NO4
Molecular Weight311.34 g/mol
Exact Mass311.12
IUPAC Namebenzyl (4S)-4-benzyl-5-oxo-1,3-oxazolidine-3-carboxylate
SMILESO=C1OCN(C(=O)OCc2ccccc2)[C@H]1Cc1ccccc1
InChIInChI=1S/C18H17NO4/c20-17-16(11-14-7-3-1-4-8-14)19(13-23-17)18(21)22-12-15-9-5-2-6-10-15/h1-10,16H,11-13H2/t16-/m0/s1
InChIKeyJUKOCCGVSRMWMD-INIZCTEOSA-N
XLogP2.75
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.34
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of benzyl (4S)-4-benzyl-5-oxo-1,3-oxazolidine-3-carboxylate?
The IUPAC name of benzyl (4S)-4-benzyl-5-oxo-1,3-oxazolidine-3-carboxylate (CID 819481) is benzyl (4S)-4-benzyl-5-oxo-1,3-oxazolidine-3-carboxylate.
What is the SMILES notation for benzyl (4S)-4-benzyl-5-oxo-1,3-oxazolidine-3-carboxylate?
The canonical SMILES for benzyl (4S)-4-benzyl-5-oxo-1,3-oxazolidine-3-carboxylate is O=C1OCN(C(=O)OCc2ccccc2)[C@H]1Cc1ccccc1.
What is the InChIKey of benzyl (4S)-4-benzyl-5-oxo-1,3-oxazolidine-3-carboxylate?
The InChIKey is JUKOCCGVSRMWMD-INIZCTEOSA-N. The full InChI is InChI=1S/C18H17NO4/c20-17-16(11-14-7-3-1-4-8-14)19(13-23-17)18(21)22-12-15-9-5-2-6-10-15/h1-10,16H,11-13H2/t16-/m0/s1.
What are the key properties of benzyl (4S)-4-benzyl-5-oxo-1,3-oxazolidine-3-carboxylate?
benzyl (4S)-4-benzyl-5-oxo-1,3-oxazolidine-3-carboxylate has a molecular weight of 311.34 g/mol, XLogP of 2.75, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl (4S)-4-benzyl-5-oxo-1,3-oxazolidine-3-carboxylate is sourced from PubChem (CID 819481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).