ethyl 2-[3-(2-oxo-1,3-benzoxazol-3-yl)propanoyloxymethyl]furan-3-carboxylate

C18H17NO7 — CID 27705808

IUPACethyl 2-[3-(2-oxo-1,3-benzoxazol-3-yl)propanoyloxymethyl]furan-3-carboxylate
SMILESCCOC(=O)c1ccoc1COC(=O)CCn1c(=O)oc2ccccc21
InChIInChI=1S/C18H17NO7/c1-2-23-17(21)12-8-10-24-15(12)11-25-16(20)7-9-19-13-5-3-4-6-14(13)26-18(19)22/h3-6,8,10H,2,7,9,11H2,1H3
InChIKeyUIRYGSFDCLWQOD-UHFFFAOYSA-N
MW359.33 g/mol
LogP2.50
Rot. Bonds7

About ethyl 2-[3-(2-oxo-1,3-benzoxazol-3-yl)propanoyloxymethyl]furan-3-carboxylate

ethyl 2-[3-(2-oxo-1,3-benzoxazol-3-yl)propanoyloxymethyl]furan-3-carboxylate (PubChem CID 27705808) has the molecular formula C18H17NO7 and a molecular weight of 359.33 g/mol. Its IUPAC name is ethyl 2-[3-(2-oxo-1,3-benzoxazol-3-yl)propanoyloxymethyl]furan-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-[3-(2-oxo-1,3-benzoxazol-3-yl)propanoyloxymethyl]furan-3-carboxylate
PubChem CID27705808
Molecular FormulaC18H17NO7
Molecular Weight359.33 g/mol
Exact Mass359.10
IUPAC Nameethyl 2-[3-(2-oxo-1,3-benzoxazol-3-yl)propanoyloxymethyl]furan-3-carboxylate
SMILESCCOC(=O)c1ccoc1COC(=O)CCn1c(=O)oc2ccccc21
InChIInChI=1S/C18H17NO7/c1-2-23-17(21)12-8-10-24-15(12)11-25-16(20)7-9-19-13-5-3-4-6-14(13)26-18(19)22/h3-6,8,10H,2,7,9,11H2,1H3
InChIKeyUIRYGSFDCLWQOD-UHFFFAOYSA-N
XLogP2.50
TPSA100.88 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.33
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[3-(2-oxo-1,3-benzoxazol-3-yl)propanoyloxymethyl]furan-3-carboxylate?
The IUPAC name of ethyl 2-[3-(2-oxo-1,3-benzoxazol-3-yl)propanoyloxymethyl]furan-3-carboxylate (CID 27705808) is ethyl 2-[3-(2-oxo-1,3-benzoxazol-3-yl)propanoyloxymethyl]furan-3-carboxylate.
What is the SMILES notation for ethyl 2-[3-(2-oxo-1,3-benzoxazol-3-yl)propanoyloxymethyl]furan-3-carboxylate?
The canonical SMILES for ethyl 2-[3-(2-oxo-1,3-benzoxazol-3-yl)propanoyloxymethyl]furan-3-carboxylate is CCOC(=O)c1ccoc1COC(=O)CCn1c(=O)oc2ccccc21.
What is the InChIKey of ethyl 2-[3-(2-oxo-1,3-benzoxazol-3-yl)propanoyloxymethyl]furan-3-carboxylate?
The InChIKey is UIRYGSFDCLWQOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO7/c1-2-23-17(21)12-8-10-24-15(12)11-25-16(20)7-9-19-13-5-3-4-6-14(13)26-18(19)22/h3-6,8,10H,2,7,9,11H2,1H3.
What are the key properties of ethyl 2-[3-(2-oxo-1,3-benzoxazol-3-yl)propanoyloxymethyl]furan-3-carboxylate?
ethyl 2-[3-(2-oxo-1,3-benzoxazol-3-yl)propanoyloxymethyl]furan-3-carboxylate has a molecular weight of 359.33 g/mol, XLogP of 2.50, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[3-(2-oxo-1,3-benzoxazol-3-yl)propanoyloxymethyl]furan-3-carboxylate is sourced from PubChem (CID 27705808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).