ethyl 4-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]benzoate

C19H17NO4 — CID 118720205

IUPACethyl 4-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]benzoate
SMILESCCOC(=O)c1ccc(-c2ncc(-c3ccc(OC)cc3)o2)cc1
InChIInChI=1S/C19H17NO4/c1-3-23-19(21)15-6-4-14(5-7-15)18-20-12-17(24-18)13-8-10-16(22-2)11-9-13/h4-12H,3H2,1-2H3
InChIKeyKQNBSYNFMWUFOX-UHFFFAOYSA-N
MW323.35 g/mol
LogP4.19
Rot. Bonds5

About ethyl 4-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]benzoate

ethyl 4-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]benzoate (PubChem CID 118720205) has the molecular formula C19H17NO4 and a molecular weight of 323.35 g/mol. Its IUPAC name is ethyl 4-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]benzoate.

Molecular Properties

Compound Nameethyl 4-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]benzoate
PubChem CID118720205
Molecular FormulaC19H17NO4
Molecular Weight323.35 g/mol
Exact Mass323.12
IUPAC Nameethyl 4-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]benzoate
SMILESCCOC(=O)c1ccc(-c2ncc(-c3ccc(OC)cc3)o2)cc1
InChIInChI=1S/C19H17NO4/c1-3-23-19(21)15-6-4-14(5-7-15)18-20-12-17(24-18)13-8-10-16(22-2)11-9-13/h4-12H,3H2,1-2H3
InChIKeyKQNBSYNFMWUFOX-UHFFFAOYSA-N
XLogP4.19
TPSA61.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]benzoate?
The IUPAC name of ethyl 4-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]benzoate (CID 118720205) is ethyl 4-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]benzoate.
What is the SMILES notation for ethyl 4-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]benzoate?
The canonical SMILES for ethyl 4-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]benzoate is CCOC(=O)c1ccc(-c2ncc(-c3ccc(OC)cc3)o2)cc1.
What is the InChIKey of ethyl 4-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]benzoate?
The InChIKey is KQNBSYNFMWUFOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO4/c1-3-23-19(21)15-6-4-14(5-7-15)18-20-12-17(24-18)13-8-10-16(22-2)11-9-13/h4-12H,3H2,1-2H3.
What are the key properties of ethyl 4-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]benzoate?
ethyl 4-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]benzoate has a molecular weight of 323.35 g/mol, XLogP of 4.19, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]benzoate is sourced from PubChem (CID 118720205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).