tert-butyl 6'-chloro-2'-methoxy-2-oxospiro[1,3-oxazolidine-4,3'-2H-1-benzofuran]-3-carboxylate

C16H18ClNO6 — CID 102501826

IUPACtert-butyl 6'-chloro-2'-methoxy-2-oxospiro[1,3-oxazolidine-4,3'-2H-1-benzofuran]-3-carboxylate
SMILESCOC1Oc2cc(Cl)ccc2C12COC(=O)N2C(=O)OC(C)(C)C
InChIInChI=1S/C16H18ClNO6/c1-15(2,3)24-14(20)18-13(19)22-8-16(18)10-6-5-9(17)7-11(10)23-12(16)21-4/h5-7,12H,8H2,1-4H3
InChIKeyWZHYEQRVGQCTRQ-UHFFFAOYSA-N
MW355.77 g/mol
LogP3.29
Rot. Bonds1

About tert-butyl 6'-chloro-2'-methoxy-2-oxospiro[1,3-oxazolidine-4,3'-2H-1-benzofuran]-3-carboxylate

tert-butyl 6'-chloro-2'-methoxy-2-oxospiro[1,3-oxazolidine-4,3'-2H-1-benzofuran]-3-carboxylate (PubChem CID 102501826) has the molecular formula C16H18ClNO6 and a molecular weight of 355.77 g/mol. Its IUPAC name is tert-butyl 6'-chloro-2'-methoxy-2-oxospiro[1,3-oxazolidine-4,3'-2H-1-benzofuran]-3-carboxylate.

Molecular Properties

Compound Nametert-butyl 6'-chloro-2'-methoxy-2-oxospiro[1,3-oxazolidine-4,3'-2H-1-benzofuran]-3-carboxylate
PubChem CID102501826
Molecular FormulaC16H18ClNO6
Molecular Weight355.77 g/mol
Exact Mass355.08
IUPAC Nametert-butyl 6'-chloro-2'-methoxy-2-oxospiro[1,3-oxazolidine-4,3'-2H-1-benzofuran]-3-carboxylate
SMILESCOC1Oc2cc(Cl)ccc2C12COC(=O)N2C(=O)OC(C)(C)C
InChIInChI=1S/C16H18ClNO6/c1-15(2,3)24-14(20)18-13(19)22-8-16(18)10-6-5-9(17)7-11(10)23-12(16)21-4/h5-7,12H,8H2,1-4H3
InChIKeyWZHYEQRVGQCTRQ-UHFFFAOYSA-N
XLogP3.29
TPSA74.30 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.77
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze tert-butyl 6'-chloro-2'-methoxy-2-oxospiro[1,3-oxazolidine-4,3'-2H-1-benzofuran]-3-carboxylate with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 6'-chloro-2'-methoxy-2-oxospiro[1,3-oxazolidine-4,3'-2H-1-benzofuran]-3-carboxylate?
The IUPAC name of tert-butyl 6'-chloro-2'-methoxy-2-oxospiro[1,3-oxazolidine-4,3'-2H-1-benzofuran]-3-carboxylate (CID 102501826) is tert-butyl 6'-chloro-2'-methoxy-2-oxospiro[1,3-oxazolidine-4,3'-2H-1-benzofuran]-3-carboxylate.
What is the SMILES notation for tert-butyl 6'-chloro-2'-methoxy-2-oxospiro[1,3-oxazolidine-4,3'-2H-1-benzofuran]-3-carboxylate?
The canonical SMILES for tert-butyl 6'-chloro-2'-methoxy-2-oxospiro[1,3-oxazolidine-4,3'-2H-1-benzofuran]-3-carboxylate is COC1Oc2cc(Cl)ccc2C12COC(=O)N2C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 6'-chloro-2'-methoxy-2-oxospiro[1,3-oxazolidine-4,3'-2H-1-benzofuran]-3-carboxylate?
The InChIKey is WZHYEQRVGQCTRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClNO6/c1-15(2,3)24-14(20)18-13(19)22-8-16(18)10-6-5-9(17)7-11(10)23-12(16)21-4/h5-7,12H,8H2,1-4H3.
What are the key properties of tert-butyl 6'-chloro-2'-methoxy-2-oxospiro[1,3-oxazolidine-4,3'-2H-1-benzofuran]-3-carboxylate?
tert-butyl 6'-chloro-2'-methoxy-2-oxospiro[1,3-oxazolidine-4,3'-2H-1-benzofuran]-3-carboxylate has a molecular weight of 355.77 g/mol, XLogP of 3.29, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 6'-chloro-2'-methoxy-2-oxospiro[1,3-oxazolidine-4,3'-2H-1-benzofuran]-3-carboxylate is sourced from PubChem (CID 102501826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).