ethyl 2-(oxan-2-yl)-5-phenyl-1,2-oxazolidine-4-carboxylate

C17H23NO4 — CID 10946681

IUPACethyl 2-(oxan-2-yl)-5-phenyl-1,2-oxazolidine-4-carboxylate
SMILESCCOC(=O)C1CN(C2CCCCO2)OC1c1ccccc1
InChIInChI=1S/C17H23NO4/c1-2-20-17(19)14-12-18(15-10-6-7-11-21-15)22-16(14)13-8-4-3-5-9-13/h3-5,8-9,14-16H,2,6-7,10-12H2,1H3
InChIKeyQQVBWYAPRPYHAY-UHFFFAOYSA-N
MW305.37 g/mol
LogP2.68
Rot. Bonds4

About ethyl 2-(oxan-2-yl)-5-phenyl-1,2-oxazolidine-4-carboxylate

ethyl 2-(oxan-2-yl)-5-phenyl-1,2-oxazolidine-4-carboxylate (PubChem CID 10946681) has the molecular formula C17H23NO4 and a molecular weight of 305.37 g/mol. Its IUPAC name is ethyl 2-(oxan-2-yl)-5-phenyl-1,2-oxazolidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-(oxan-2-yl)-5-phenyl-1,2-oxazolidine-4-carboxylate
PubChem CID10946681
Molecular FormulaC17H23NO4
Molecular Weight305.37 g/mol
Exact Mass305.16
IUPAC Nameethyl 2-(oxan-2-yl)-5-phenyl-1,2-oxazolidine-4-carboxylate
SMILESCCOC(=O)C1CN(C2CCCCO2)OC1c1ccccc1
InChIInChI=1S/C17H23NO4/c1-2-20-17(19)14-12-18(15-10-6-7-11-21-15)22-16(14)13-8-4-3-5-9-13/h3-5,8-9,14-16H,2,6-7,10-12H2,1H3
InChIKeyQQVBWYAPRPYHAY-UHFFFAOYSA-N
XLogP2.68
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.37
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(oxan-2-yl)-5-phenyl-1,2-oxazolidine-4-carboxylate?
The IUPAC name of ethyl 2-(oxan-2-yl)-5-phenyl-1,2-oxazolidine-4-carboxylate (CID 10946681) is ethyl 2-(oxan-2-yl)-5-phenyl-1,2-oxazolidine-4-carboxylate.
What is the SMILES notation for ethyl 2-(oxan-2-yl)-5-phenyl-1,2-oxazolidine-4-carboxylate?
The canonical SMILES for ethyl 2-(oxan-2-yl)-5-phenyl-1,2-oxazolidine-4-carboxylate is CCOC(=O)C1CN(C2CCCCO2)OC1c1ccccc1.
What is the InChIKey of ethyl 2-(oxan-2-yl)-5-phenyl-1,2-oxazolidine-4-carboxylate?
The InChIKey is QQVBWYAPRPYHAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO4/c1-2-20-17(19)14-12-18(15-10-6-7-11-21-15)22-16(14)13-8-4-3-5-9-13/h3-5,8-9,14-16H,2,6-7,10-12H2,1H3.
What are the key properties of ethyl 2-(oxan-2-yl)-5-phenyl-1,2-oxazolidine-4-carboxylate?
ethyl 2-(oxan-2-yl)-5-phenyl-1,2-oxazolidine-4-carboxylate has a molecular weight of 305.37 g/mol, XLogP of 2.68, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(oxan-2-yl)-5-phenyl-1,2-oxazolidine-4-carboxylate is sourced from PubChem (CID 10946681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).