tert-butyl 2-phenoxy-1,3-oxazolidine-3-carboxylate

C14H19NO4 — CID 90383959

IUPACtert-butyl 2-phenoxy-1,3-oxazolidine-3-carboxylate
SMILESCC(C)(C)OC(=O)N1CCOC1Oc1ccccc1
InChIInChI=1S/C14H19NO4/c1-14(2,3)19-12(16)15-9-10-17-13(15)18-11-7-5-4-6-8-11/h4-8,13H,9-10H2,1-3H3
InChIKeyYSQIVSNCFQIBKG-UHFFFAOYSA-N
MW265.31 g/mol
LogP2.62
Rot. Bonds2

About tert-butyl 2-phenoxy-1,3-oxazolidine-3-carboxylate

tert-butyl 2-phenoxy-1,3-oxazolidine-3-carboxylate (PubChem CID 90383959) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is tert-butyl 2-phenoxy-1,3-oxazolidine-3-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-phenoxy-1,3-oxazolidine-3-carboxylate
PubChem CID90383959
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC Nametert-butyl 2-phenoxy-1,3-oxazolidine-3-carboxylate
SMILESCC(C)(C)OC(=O)N1CCOC1Oc1ccccc1
InChIInChI=1S/C14H19NO4/c1-14(2,3)19-12(16)15-9-10-17-13(15)18-11-7-5-4-6-8-11/h4-8,13H,9-10H2,1-3H3
InChIKeyYSQIVSNCFQIBKG-UHFFFAOYSA-N
XLogP2.62
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-phenoxy-1,3-oxazolidine-3-carboxylate?
The IUPAC name of tert-butyl 2-phenoxy-1,3-oxazolidine-3-carboxylate (CID 90383959) is tert-butyl 2-phenoxy-1,3-oxazolidine-3-carboxylate.
What is the SMILES notation for tert-butyl 2-phenoxy-1,3-oxazolidine-3-carboxylate?
The canonical SMILES for tert-butyl 2-phenoxy-1,3-oxazolidine-3-carboxylate is CC(C)(C)OC(=O)N1CCOC1Oc1ccccc1.
What is the InChIKey of tert-butyl 2-phenoxy-1,3-oxazolidine-3-carboxylate?
The InChIKey is YSQIVSNCFQIBKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4/c1-14(2,3)19-12(16)15-9-10-17-13(15)18-11-7-5-4-6-8-11/h4-8,13H,9-10H2,1-3H3.
What are the key properties of tert-butyl 2-phenoxy-1,3-oxazolidine-3-carboxylate?
tert-butyl 2-phenoxy-1,3-oxazolidine-3-carboxylate has a molecular weight of 265.31 g/mol, XLogP of 2.62, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-phenoxy-1,3-oxazolidine-3-carboxylate is sourced from PubChem (CID 90383959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).