ethyl 5-(3-phenylmethoxyphenyl)-1,2-oxazole-3-carboxylate

C19H17NO4 — CID 44819191

IUPACethyl 5-(3-phenylmethoxyphenyl)-1,2-oxazole-3-carboxylate
SMILESCCOC(=O)c1cc(-c2cccc(OCc3ccccc3)c2)on1
InChIInChI=1S/C19H17NO4/c1-2-22-19(21)17-12-18(24-20-17)15-9-6-10-16(11-15)23-13-14-7-4-3-5-8-14/h3-12H,2,13H2,1H3
InChIKeyKBBFFHPDUYDOIH-UHFFFAOYSA-N
MW323.35 g/mol
LogP4.10
Rot. Bonds6

About ethyl 5-(3-phenylmethoxyphenyl)-1,2-oxazole-3-carboxylate

ethyl 5-(3-phenylmethoxyphenyl)-1,2-oxazole-3-carboxylate (PubChem CID 44819191) has the molecular formula C19H17NO4 and a molecular weight of 323.35 g/mol. Its IUPAC name is ethyl 5-(3-phenylmethoxyphenyl)-1,2-oxazole-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-(3-phenylmethoxyphenyl)-1,2-oxazole-3-carboxylate
PubChem CID44819191
Molecular FormulaC19H17NO4
Molecular Weight323.35 g/mol
Exact Mass323.12
IUPAC Nameethyl 5-(3-phenylmethoxyphenyl)-1,2-oxazole-3-carboxylate
SMILESCCOC(=O)c1cc(-c2cccc(OCc3ccccc3)c2)on1
InChIInChI=1S/C19H17NO4/c1-2-22-19(21)17-12-18(24-20-17)15-9-6-10-16(11-15)23-13-14-7-4-3-5-8-14/h3-12H,2,13H2,1H3
InChIKeyKBBFFHPDUYDOIH-UHFFFAOYSA-N
XLogP4.10
TPSA61.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-(3-phenylmethoxyphenyl)-1,2-oxazole-3-carboxylate?
The IUPAC name of ethyl 5-(3-phenylmethoxyphenyl)-1,2-oxazole-3-carboxylate (CID 44819191) is ethyl 5-(3-phenylmethoxyphenyl)-1,2-oxazole-3-carboxylate.
What is the SMILES notation for ethyl 5-(3-phenylmethoxyphenyl)-1,2-oxazole-3-carboxylate?
The canonical SMILES for ethyl 5-(3-phenylmethoxyphenyl)-1,2-oxazole-3-carboxylate is CCOC(=O)c1cc(-c2cccc(OCc3ccccc3)c2)on1.
What is the InChIKey of ethyl 5-(3-phenylmethoxyphenyl)-1,2-oxazole-3-carboxylate?
The InChIKey is KBBFFHPDUYDOIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO4/c1-2-22-19(21)17-12-18(24-20-17)15-9-6-10-16(11-15)23-13-14-7-4-3-5-8-14/h3-12H,2,13H2,1H3.
What are the key properties of ethyl 5-(3-phenylmethoxyphenyl)-1,2-oxazole-3-carboxylate?
ethyl 5-(3-phenylmethoxyphenyl)-1,2-oxazole-3-carboxylate has a molecular weight of 323.35 g/mol, XLogP of 4.10, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(3-phenylmethoxyphenyl)-1,2-oxazole-3-carboxylate is sourced from PubChem (CID 44819191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).