ethyl 2-benzoyl-5-(4-methoxyphenyl)-1,3-oxazole-4-carboxylate

C20H17NO5 — CID 135023200

IUPACethyl 2-benzoyl-5-(4-methoxyphenyl)-1,3-oxazole-4-carboxylate
SMILESCCOC(=O)c1nc(C(=O)c2ccccc2)oc1-c1ccc(OC)cc1
InChIInChI=1S/C20H17NO5/c1-3-25-20(23)16-18(14-9-11-15(24-2)12-10-14)26-19(21-16)17(22)13-7-5-4-6-8-13/h4-12H,3H2,1-2H3
InChIKeySDVQPIPHMPCJPX-UHFFFAOYSA-N
MW351.36 g/mol
LogP3.76
Rot. Bonds6

About ethyl 2-benzoyl-5-(4-methoxyphenyl)-1,3-oxazole-4-carboxylate

ethyl 2-benzoyl-5-(4-methoxyphenyl)-1,3-oxazole-4-carboxylate (PubChem CID 135023200) has the molecular formula C20H17NO5 and a molecular weight of 351.36 g/mol. Its IUPAC name is ethyl 2-benzoyl-5-(4-methoxyphenyl)-1,3-oxazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-benzoyl-5-(4-methoxyphenyl)-1,3-oxazole-4-carboxylate
PubChem CID135023200
Molecular FormulaC20H17NO5
Molecular Weight351.36 g/mol
Exact Mass351.11
IUPAC Nameethyl 2-benzoyl-5-(4-methoxyphenyl)-1,3-oxazole-4-carboxylate
SMILESCCOC(=O)c1nc(C(=O)c2ccccc2)oc1-c1ccc(OC)cc1
InChIInChI=1S/C20H17NO5/c1-3-25-20(23)16-18(14-9-11-15(24-2)12-10-14)26-19(21-16)17(22)13-7-5-4-6-8-13/h4-12H,3H2,1-2H3
InChIKeySDVQPIPHMPCJPX-UHFFFAOYSA-N
XLogP3.76
TPSA78.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.36
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-benzoyl-5-(4-methoxyphenyl)-1,3-oxazole-4-carboxylate?
The IUPAC name of ethyl 2-benzoyl-5-(4-methoxyphenyl)-1,3-oxazole-4-carboxylate (CID 135023200) is ethyl 2-benzoyl-5-(4-methoxyphenyl)-1,3-oxazole-4-carboxylate.
What is the SMILES notation for ethyl 2-benzoyl-5-(4-methoxyphenyl)-1,3-oxazole-4-carboxylate?
The canonical SMILES for ethyl 2-benzoyl-5-(4-methoxyphenyl)-1,3-oxazole-4-carboxylate is CCOC(=O)c1nc(C(=O)c2ccccc2)oc1-c1ccc(OC)cc1.
What is the InChIKey of ethyl 2-benzoyl-5-(4-methoxyphenyl)-1,3-oxazole-4-carboxylate?
The InChIKey is SDVQPIPHMPCJPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17NO5/c1-3-25-20(23)16-18(14-9-11-15(24-2)12-10-14)26-19(21-16)17(22)13-7-5-4-6-8-13/h4-12H,3H2,1-2H3.
What are the key properties of ethyl 2-benzoyl-5-(4-methoxyphenyl)-1,3-oxazole-4-carboxylate?
ethyl 2-benzoyl-5-(4-methoxyphenyl)-1,3-oxazole-4-carboxylate has a molecular weight of 351.36 g/mol, XLogP of 3.76, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-benzoyl-5-(4-methoxyphenyl)-1,3-oxazole-4-carboxylate is sourced from PubChem (CID 135023200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).