benzyl 4-ethenyl-2,2-dimethyl-1,3-oxazolidine-3-carboxylate

C15H19NO3 — CID 72765975

IUPACbenzyl 4-ethenyl-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
SMILESC=CC1COC(C)(C)N1C(=O)OCc1ccccc1
InChIInChI=1S/C15H19NO3/c1-4-13-11-19-15(2,3)16(13)14(17)18-10-12-8-6-5-7-9-12/h4-9,13H,1,10-11H2,2-3H3
InChIKeyKVUVRKLHWXSHPU-UHFFFAOYSA-N
MW261.32 g/mol
LogP2.95
Rot. Bonds3

About benzyl 4-ethenyl-2,2-dimethyl-1,3-oxazolidine-3-carboxylate

benzyl 4-ethenyl-2,2-dimethyl-1,3-oxazolidine-3-carboxylate (PubChem CID 72765975) has the molecular formula C15H19NO3 and a molecular weight of 261.32 g/mol. Its IUPAC name is benzyl 4-ethenyl-2,2-dimethyl-1,3-oxazolidine-3-carboxylate.

Molecular Properties

Compound Namebenzyl 4-ethenyl-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
PubChem CID72765975
Molecular FormulaC15H19NO3
Molecular Weight261.32 g/mol
Exact Mass261.14
IUPAC Namebenzyl 4-ethenyl-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
SMILESC=CC1COC(C)(C)N1C(=O)OCc1ccccc1
InChIInChI=1S/C15H19NO3/c1-4-13-11-19-15(2,3)16(13)14(17)18-10-12-8-6-5-7-9-12/h4-9,13H,1,10-11H2,2-3H3
InChIKeyKVUVRKLHWXSHPU-UHFFFAOYSA-N
XLogP2.95
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of benzyl 4-ethenyl-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?
The IUPAC name of benzyl 4-ethenyl-2,2-dimethyl-1,3-oxazolidine-3-carboxylate (CID 72765975) is benzyl 4-ethenyl-2,2-dimethyl-1,3-oxazolidine-3-carboxylate.
What is the SMILES notation for benzyl 4-ethenyl-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?
The canonical SMILES for benzyl 4-ethenyl-2,2-dimethyl-1,3-oxazolidine-3-carboxylate is C=CC1COC(C)(C)N1C(=O)OCc1ccccc1.
What is the InChIKey of benzyl 4-ethenyl-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?
The InChIKey is KVUVRKLHWXSHPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3/c1-4-13-11-19-15(2,3)16(13)14(17)18-10-12-8-6-5-7-9-12/h4-9,13H,1,10-11H2,2-3H3.
What are the key properties of benzyl 4-ethenyl-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?
benzyl 4-ethenyl-2,2-dimethyl-1,3-oxazolidine-3-carboxylate has a molecular weight of 261.32 g/mol, XLogP of 2.95, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 4-ethenyl-2,2-dimethyl-1,3-oxazolidine-3-carboxylate is sourced from PubChem (CID 72765975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).