ethyl 5-(furan-2-yl)-2-phenyl-1,3-oxazole-4-carboxylate

C16H13NO4 — CID 11108817

IUPACethyl 5-(furan-2-yl)-2-phenyl-1,3-oxazole-4-carboxylate
SMILESCCOC(=O)c1nc(-c2ccccc2)oc1-c1ccco1
InChIInChI=1S/C16H13NO4/c1-2-19-16(18)13-14(12-9-6-10-20-12)21-15(17-13)11-7-4-3-5-8-11/h3-10H,2H2,1H3
InChIKeySHEAIVGRGPXAGS-UHFFFAOYSA-N
MW283.28 g/mol
LogP3.78
Rot. Bonds4

About ethyl 5-(furan-2-yl)-2-phenyl-1,3-oxazole-4-carboxylate

ethyl 5-(furan-2-yl)-2-phenyl-1,3-oxazole-4-carboxylate (PubChem CID 11108817) has the molecular formula C16H13NO4 and a molecular weight of 283.28 g/mol. Its IUPAC name is ethyl 5-(furan-2-yl)-2-phenyl-1,3-oxazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-(furan-2-yl)-2-phenyl-1,3-oxazole-4-carboxylate
PubChem CID11108817
Molecular FormulaC16H13NO4
Molecular Weight283.28 g/mol
Exact Mass283.08
IUPAC Nameethyl 5-(furan-2-yl)-2-phenyl-1,3-oxazole-4-carboxylate
SMILESCCOC(=O)c1nc(-c2ccccc2)oc1-c1ccco1
InChIInChI=1S/C16H13NO4/c1-2-19-16(18)13-14(12-9-6-10-20-12)21-15(17-13)11-7-4-3-5-8-11/h3-10H,2H2,1H3
InChIKeySHEAIVGRGPXAGS-UHFFFAOYSA-N
XLogP3.78
TPSA65.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.28
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-(furan-2-yl)-2-phenyl-1,3-oxazole-4-carboxylate?
The IUPAC name of ethyl 5-(furan-2-yl)-2-phenyl-1,3-oxazole-4-carboxylate (CID 11108817) is ethyl 5-(furan-2-yl)-2-phenyl-1,3-oxazole-4-carboxylate.
What is the SMILES notation for ethyl 5-(furan-2-yl)-2-phenyl-1,3-oxazole-4-carboxylate?
The canonical SMILES for ethyl 5-(furan-2-yl)-2-phenyl-1,3-oxazole-4-carboxylate is CCOC(=O)c1nc(-c2ccccc2)oc1-c1ccco1.
What is the InChIKey of ethyl 5-(furan-2-yl)-2-phenyl-1,3-oxazole-4-carboxylate?
The InChIKey is SHEAIVGRGPXAGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NO4/c1-2-19-16(18)13-14(12-9-6-10-20-12)21-15(17-13)11-7-4-3-5-8-11/h3-10H,2H2,1H3.
What are the key properties of ethyl 5-(furan-2-yl)-2-phenyl-1,3-oxazole-4-carboxylate?
ethyl 5-(furan-2-yl)-2-phenyl-1,3-oxazole-4-carboxylate has a molecular weight of 283.28 g/mol, XLogP of 3.78, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(furan-2-yl)-2-phenyl-1,3-oxazole-4-carboxylate is sourced from PubChem (CID 11108817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).