ethyl 5-[(Z)-2-phenylethenyl]-2-thiophen-2-yl-1,3-oxazole-4-carboxylate

C18H15NO3S — CID 89038665

IUPACethyl 5-[(Z)-2-phenylethenyl]-2-thiophen-2-yl-1,3-oxazole-4-carboxylate
SMILESCCOC(=O)c1nc(-c2cccs2)oc1/C=C\c1ccccc1
InChIInChI=1S/C18H15NO3S/c1-2-21-18(20)16-14(11-10-13-7-4-3-5-8-13)22-17(19-16)15-9-6-12-23-15/h3-12H,2H2,1H3/b11-10-
InChIKeyZNVIKKUBZWGKKR-KHPPLWFESA-N
MW325.39 g/mol
LogP4.75
Rot. Bonds5

About ethyl 5-[(Z)-2-phenylethenyl]-2-thiophen-2-yl-1,3-oxazole-4-carboxylate

ethyl 5-[(Z)-2-phenylethenyl]-2-thiophen-2-yl-1,3-oxazole-4-carboxylate (PubChem CID 89038665) has the molecular formula C18H15NO3S and a molecular weight of 325.39 g/mol. Its IUPAC name is ethyl 5-[(Z)-2-phenylethenyl]-2-thiophen-2-yl-1,3-oxazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-[(Z)-2-phenylethenyl]-2-thiophen-2-yl-1,3-oxazole-4-carboxylate
PubChem CID89038665
Molecular FormulaC18H15NO3S
Molecular Weight325.39 g/mol
Exact Mass325.08
IUPAC Nameethyl 5-[(Z)-2-phenylethenyl]-2-thiophen-2-yl-1,3-oxazole-4-carboxylate
SMILESCCOC(=O)c1nc(-c2cccs2)oc1/C=C\c1ccccc1
InChIInChI=1S/C18H15NO3S/c1-2-21-18(20)16-14(11-10-13-7-4-3-5-8-13)22-17(19-16)15-9-6-12-23-15/h3-12H,2H2,1H3/b11-10-
InChIKeyZNVIKKUBZWGKKR-KHPPLWFESA-N
XLogP4.75
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.39
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-[(Z)-2-phenylethenyl]-2-thiophen-2-yl-1,3-oxazole-4-carboxylate?
The IUPAC name of ethyl 5-[(Z)-2-phenylethenyl]-2-thiophen-2-yl-1,3-oxazole-4-carboxylate (CID 89038665) is ethyl 5-[(Z)-2-phenylethenyl]-2-thiophen-2-yl-1,3-oxazole-4-carboxylate.
What is the SMILES notation for ethyl 5-[(Z)-2-phenylethenyl]-2-thiophen-2-yl-1,3-oxazole-4-carboxylate?
The canonical SMILES for ethyl 5-[(Z)-2-phenylethenyl]-2-thiophen-2-yl-1,3-oxazole-4-carboxylate is CCOC(=O)c1nc(-c2cccs2)oc1/C=C\c1ccccc1.
What is the InChIKey of ethyl 5-[(Z)-2-phenylethenyl]-2-thiophen-2-yl-1,3-oxazole-4-carboxylate?
The InChIKey is ZNVIKKUBZWGKKR-KHPPLWFESA-N. The full InChI is InChI=1S/C18H15NO3S/c1-2-21-18(20)16-14(11-10-13-7-4-3-5-8-13)22-17(19-16)15-9-6-12-23-15/h3-12H,2H2,1H3/b11-10-.
What are the key properties of ethyl 5-[(Z)-2-phenylethenyl]-2-thiophen-2-yl-1,3-oxazole-4-carboxylate?
ethyl 5-[(Z)-2-phenylethenyl]-2-thiophen-2-yl-1,3-oxazole-4-carboxylate has a molecular weight of 325.39 g/mol, XLogP of 4.75, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[(Z)-2-phenylethenyl]-2-thiophen-2-yl-1,3-oxazole-4-carboxylate is sourced from PubChem (CID 89038665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).