ethyl 2-(2-phenyl-5-thiophen-3-yl-1,3-oxazol-4-yl)acetate

C17H15NO3S — CID 13105436

IUPACethyl 2-(2-phenyl-5-thiophen-3-yl-1,3-oxazol-4-yl)acetate
SMILESCCOC(=O)Cc1nc(-c2ccccc2)oc1-c1ccsc1
InChIInChI=1S/C17H15NO3S/c1-2-20-15(19)10-14-16(13-8-9-22-11-13)21-17(18-14)12-6-4-3-5-7-12/h3-9,11H,2,10H2,1H3
InChIKeyQELPBUWTNRVRTK-UHFFFAOYSA-N
MW313.38 g/mol
LogP4.18
Rot. Bonds5

About ethyl 2-(2-phenyl-5-thiophen-3-yl-1,3-oxazol-4-yl)acetate

ethyl 2-(2-phenyl-5-thiophen-3-yl-1,3-oxazol-4-yl)acetate (PubChem CID 13105436) has the molecular formula C17H15NO3S and a molecular weight of 313.38 g/mol. Its IUPAC name is ethyl 2-(2-phenyl-5-thiophen-3-yl-1,3-oxazol-4-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(2-phenyl-5-thiophen-3-yl-1,3-oxazol-4-yl)acetate
PubChem CID13105436
Molecular FormulaC17H15NO3S
Molecular Weight313.38 g/mol
Exact Mass313.08
IUPAC Nameethyl 2-(2-phenyl-5-thiophen-3-yl-1,3-oxazol-4-yl)acetate
SMILESCCOC(=O)Cc1nc(-c2ccccc2)oc1-c1ccsc1
InChIInChI=1S/C17H15NO3S/c1-2-20-15(19)10-14-16(13-8-9-22-11-13)21-17(18-14)12-6-4-3-5-7-12/h3-9,11H,2,10H2,1H3
InChIKeyQELPBUWTNRVRTK-UHFFFAOYSA-N
XLogP4.18
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.38
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-phenyl-5-thiophen-3-yl-1,3-oxazol-4-yl)acetate?
The IUPAC name of ethyl 2-(2-phenyl-5-thiophen-3-yl-1,3-oxazol-4-yl)acetate (CID 13105436) is ethyl 2-(2-phenyl-5-thiophen-3-yl-1,3-oxazol-4-yl)acetate.
What is the SMILES notation for ethyl 2-(2-phenyl-5-thiophen-3-yl-1,3-oxazol-4-yl)acetate?
The canonical SMILES for ethyl 2-(2-phenyl-5-thiophen-3-yl-1,3-oxazol-4-yl)acetate is CCOC(=O)Cc1nc(-c2ccccc2)oc1-c1ccsc1.
What is the InChIKey of ethyl 2-(2-phenyl-5-thiophen-3-yl-1,3-oxazol-4-yl)acetate?
The InChIKey is QELPBUWTNRVRTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO3S/c1-2-20-15(19)10-14-16(13-8-9-22-11-13)21-17(18-14)12-6-4-3-5-7-12/h3-9,11H,2,10H2,1H3.
What are the key properties of ethyl 2-(2-phenyl-5-thiophen-3-yl-1,3-oxazol-4-yl)acetate?
ethyl 2-(2-phenyl-5-thiophen-3-yl-1,3-oxazol-4-yl)acetate has a molecular weight of 313.38 g/mol, XLogP of 4.18, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-phenyl-5-thiophen-3-yl-1,3-oxazol-4-yl)acetate is sourced from PubChem (CID 13105436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).