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

C17H14ClNO3S — CID 13105457

IUPACethyl 2-[2-(4-chlorophenyl)-5-thiophen-2-yl-1,3-oxazol-4-yl]acetate
SMILESCCOC(=O)Cc1nc(-c2ccc(Cl)cc2)oc1-c1cccs1
InChIInChI=1S/C17H14ClNO3S/c1-2-21-15(20)10-13-16(14-4-3-9-23-14)22-17(19-13)11-5-7-12(18)8-6-11/h3-9H,2,10H2,1H3
InChIKeyOONFRGFLDYZOOX-UHFFFAOYSA-N
MW347.82 g/mol
LogP4.83
Rot. Bonds5

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

ethyl 2-[2-(4-chlorophenyl)-5-thiophen-2-yl-1,3-oxazol-4-yl]acetate (PubChem CID 13105457) has the molecular formula C17H14ClNO3S and a molecular weight of 347.82 g/mol. Its IUPAC name is ethyl 2-[2-(4-chlorophenyl)-5-thiophen-2-yl-1,3-oxazol-4-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[2-(4-chlorophenyl)-5-thiophen-2-yl-1,3-oxazol-4-yl]acetate
PubChem CID13105457
Molecular FormulaC17H14ClNO3S
Molecular Weight347.82 g/mol
Exact Mass347.04
IUPAC Nameethyl 2-[2-(4-chlorophenyl)-5-thiophen-2-yl-1,3-oxazol-4-yl]acetate
SMILESCCOC(=O)Cc1nc(-c2ccc(Cl)cc2)oc1-c1cccs1
InChIInChI=1S/C17H14ClNO3S/c1-2-21-15(20)10-13-16(14-4-3-9-23-14)22-17(19-13)11-5-7-12(18)8-6-11/h3-9H,2,10H2,1H3
InChIKeyOONFRGFLDYZOOX-UHFFFAOYSA-N
XLogP4.83
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.82
LogP ≤ 54.83
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-thiophen-2-yl-1,3-oxazol-4-yl]acetate?
The IUPAC name of ethyl 2-[2-(4-chlorophenyl)-5-thiophen-2-yl-1,3-oxazol-4-yl]acetate (CID 13105457) is ethyl 2-[2-(4-chlorophenyl)-5-thiophen-2-yl-1,3-oxazol-4-yl]acetate.
What is the SMILES notation for ethyl 2-[2-(4-chlorophenyl)-5-thiophen-2-yl-1,3-oxazol-4-yl]acetate?
The canonical SMILES for ethyl 2-[2-(4-chlorophenyl)-5-thiophen-2-yl-1,3-oxazol-4-yl]acetate is CCOC(=O)Cc1nc(-c2ccc(Cl)cc2)oc1-c1cccs1.
What is the InChIKey of ethyl 2-[2-(4-chlorophenyl)-5-thiophen-2-yl-1,3-oxazol-4-yl]acetate?
The InChIKey is OONFRGFLDYZOOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClNO3S/c1-2-21-15(20)10-13-16(14-4-3-9-23-14)22-17(19-13)11-5-7-12(18)8-6-11/h3-9H,2,10H2,1H3.
What are the key properties of ethyl 2-[2-(4-chlorophenyl)-5-thiophen-2-yl-1,3-oxazol-4-yl]acetate?
ethyl 2-[2-(4-chlorophenyl)-5-thiophen-2-yl-1,3-oxazol-4-yl]acetate has a molecular weight of 347.82 g/mol, XLogP of 4.83, 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-thiophen-2-yl-1,3-oxazol-4-yl]acetate is sourced from PubChem (CID 13105457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).