ethyl 2-[5-(furan-3-yl)-2-phenyl-1,3-oxazol-4-yl]acetate

C17H15NO4 — CID 13392296

IUPACethyl 2-[5-(furan-3-yl)-2-phenyl-1,3-oxazol-4-yl]acetate
SMILESCCOC(=O)Cc1nc(-c2ccccc2)oc1-c1ccoc1
InChIInChI=1S/C17H15NO4/c1-2-21-15(19)10-14-16(13-8-9-20-11-13)22-17(18-14)12-6-4-3-5-7-12/h3-9,11H,2,10H2,1H3
InChIKeyGDOLPRJALHBOGW-UHFFFAOYSA-N
MW297.31 g/mol
LogP3.71
Rot. Bonds5

About ethyl 2-[5-(furan-3-yl)-2-phenyl-1,3-oxazol-4-yl]acetate

ethyl 2-[5-(furan-3-yl)-2-phenyl-1,3-oxazol-4-yl]acetate (PubChem CID 13392296) has the molecular formula C17H15NO4 and a molecular weight of 297.31 g/mol. Its IUPAC name is ethyl 2-[5-(furan-3-yl)-2-phenyl-1,3-oxazol-4-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[5-(furan-3-yl)-2-phenyl-1,3-oxazol-4-yl]acetate
PubChem CID13392296
Molecular FormulaC17H15NO4
Molecular Weight297.31 g/mol
Exact Mass297.10
IUPAC Nameethyl 2-[5-(furan-3-yl)-2-phenyl-1,3-oxazol-4-yl]acetate
SMILESCCOC(=O)Cc1nc(-c2ccccc2)oc1-c1ccoc1
InChIInChI=1S/C17H15NO4/c1-2-21-15(19)10-14-16(13-8-9-20-11-13)22-17(18-14)12-6-4-3-5-7-12/h3-9,11H,2,10H2,1H3
InChIKeyGDOLPRJALHBOGW-UHFFFAOYSA-N
XLogP3.71
TPSA65.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.31
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[5-(furan-3-yl)-2-phenyl-1,3-oxazol-4-yl]acetate?
The IUPAC name of ethyl 2-[5-(furan-3-yl)-2-phenyl-1,3-oxazol-4-yl]acetate (CID 13392296) is ethyl 2-[5-(furan-3-yl)-2-phenyl-1,3-oxazol-4-yl]acetate.
What is the SMILES notation for ethyl 2-[5-(furan-3-yl)-2-phenyl-1,3-oxazol-4-yl]acetate?
The canonical SMILES for ethyl 2-[5-(furan-3-yl)-2-phenyl-1,3-oxazol-4-yl]acetate is CCOC(=O)Cc1nc(-c2ccccc2)oc1-c1ccoc1.
What is the InChIKey of ethyl 2-[5-(furan-3-yl)-2-phenyl-1,3-oxazol-4-yl]acetate?
The InChIKey is GDOLPRJALHBOGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO4/c1-2-21-15(19)10-14-16(13-8-9-20-11-13)22-17(18-14)12-6-4-3-5-7-12/h3-9,11H,2,10H2,1H3.
What are the key properties of ethyl 2-[5-(furan-3-yl)-2-phenyl-1,3-oxazol-4-yl]acetate?
ethyl 2-[5-(furan-3-yl)-2-phenyl-1,3-oxazol-4-yl]acetate has a molecular weight of 297.31 g/mol, XLogP of 3.71, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[5-(furan-3-yl)-2-phenyl-1,3-oxazol-4-yl]acetate is sourced from PubChem (CID 13392296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).