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

C17H14ClNO4 — CID 13361431

IUPACethyl 2-[2-(4-chlorophenyl)-5-(furan-3-yl)-1,3-oxazol-4-yl]acetate
SMILESCCOC(=O)Cc1nc(-c2ccc(Cl)cc2)oc1-c1ccoc1
InChIInChI=1S/C17H14ClNO4/c1-2-22-15(20)9-14-16(12-7-8-21-10-12)23-17(19-14)11-3-5-13(18)6-4-11/h3-8,10H,2,9H2,1H3
InChIKeyFQIBTFBVKAGCOG-UHFFFAOYSA-N
MW331.76 g/mol
LogP4.36
Rot. Bonds5

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

ethyl 2-[2-(4-chlorophenyl)-5-(furan-3-yl)-1,3-oxazol-4-yl]acetate (PubChem CID 13361431) has the molecular formula C17H14ClNO4 and a molecular weight of 331.76 g/mol. Its IUPAC name is ethyl 2-[2-(4-chlorophenyl)-5-(furan-3-yl)-1,3-oxazol-4-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[2-(4-chlorophenyl)-5-(furan-3-yl)-1,3-oxazol-4-yl]acetate
PubChem CID13361431
Molecular FormulaC17H14ClNO4
Molecular Weight331.76 g/mol
Exact Mass331.06
IUPAC Nameethyl 2-[2-(4-chlorophenyl)-5-(furan-3-yl)-1,3-oxazol-4-yl]acetate
SMILESCCOC(=O)Cc1nc(-c2ccc(Cl)cc2)oc1-c1ccoc1
InChIInChI=1S/C17H14ClNO4/c1-2-22-15(20)9-14-16(12-7-8-21-10-12)23-17(19-14)11-3-5-13(18)6-4-11/h3-8,10H,2,9H2,1H3
InChIKeyFQIBTFBVKAGCOG-UHFFFAOYSA-N
XLogP4.36
TPSA65.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.76
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-(4-chlorophenyl)-5-(furan-3-yl)-1,3-oxazol-4-yl]acetate?
The IUPAC name of ethyl 2-[2-(4-chlorophenyl)-5-(furan-3-yl)-1,3-oxazol-4-yl]acetate (CID 13361431) is ethyl 2-[2-(4-chlorophenyl)-5-(furan-3-yl)-1,3-oxazol-4-yl]acetate.
What is the SMILES notation for ethyl 2-[2-(4-chlorophenyl)-5-(furan-3-yl)-1,3-oxazol-4-yl]acetate?
The canonical SMILES for ethyl 2-[2-(4-chlorophenyl)-5-(furan-3-yl)-1,3-oxazol-4-yl]acetate is CCOC(=O)Cc1nc(-c2ccc(Cl)cc2)oc1-c1ccoc1.
What is the InChIKey of ethyl 2-[2-(4-chlorophenyl)-5-(furan-3-yl)-1,3-oxazol-4-yl]acetate?
The InChIKey is FQIBTFBVKAGCOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClNO4/c1-2-22-15(20)9-14-16(12-7-8-21-10-12)23-17(19-14)11-3-5-13(18)6-4-11/h3-8,10H,2,9H2,1H3.
What are the key properties of ethyl 2-[2-(4-chlorophenyl)-5-(furan-3-yl)-1,3-oxazol-4-yl]acetate?
ethyl 2-[2-(4-chlorophenyl)-5-(furan-3-yl)-1,3-oxazol-4-yl]acetate has a molecular weight of 331.76 g/mol, XLogP of 4.36, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-(4-chlorophenyl)-5-(furan-3-yl)-1,3-oxazol-4-yl]acetate is sourced from PubChem (CID 13361431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).