ethyl 2-ethoxy-3-[3-(5-phenyl-4,5-dihydro-1,2-oxazol-3-yl)phenyl]propanoate

C22H25NO4 — CID 25131512

IUPACethyl 2-ethoxy-3-[3-(5-phenyl-4,5-dihydro-1,2-oxazol-3-yl)phenyl]propanoate
SMILESCCOC(=O)C(Cc1cccc(C2=NOC(c3ccccc3)C2)c1)OCC
InChIInChI=1S/C22H25NO4/c1-3-25-21(22(24)26-4-2)14-16-9-8-12-18(13-16)19-15-20(27-23-19)17-10-6-5-7-11-17/h5-13,20-21H,3-4,14-15H2,1-2H3
InChIKeyARMXALAZQRBYRJ-UHFFFAOYSA-N
MW367.45 g/mol
LogP4.06
Rot. Bonds8

About ethyl 2-ethoxy-3-[3-(5-phenyl-4,5-dihydro-1,2-oxazol-3-yl)phenyl]propanoate

ethyl 2-ethoxy-3-[3-(5-phenyl-4,5-dihydro-1,2-oxazol-3-yl)phenyl]propanoate (PubChem CID 25131512) has the molecular formula C22H25NO4 and a molecular weight of 367.45 g/mol. Its IUPAC name is ethyl 2-ethoxy-3-[3-(5-phenyl-4,5-dihydro-1,2-oxazol-3-yl)phenyl]propanoate.

Molecular Properties

Compound Nameethyl 2-ethoxy-3-[3-(5-phenyl-4,5-dihydro-1,2-oxazol-3-yl)phenyl]propanoate
PubChem CID25131512
Molecular FormulaC22H25NO4
Molecular Weight367.45 g/mol
Exact Mass367.18
IUPAC Nameethyl 2-ethoxy-3-[3-(5-phenyl-4,5-dihydro-1,2-oxazol-3-yl)phenyl]propanoate
SMILESCCOC(=O)C(Cc1cccc(C2=NOC(c3ccccc3)C2)c1)OCC
InChIInChI=1S/C22H25NO4/c1-3-25-21(22(24)26-4-2)14-16-9-8-12-18(13-16)19-15-20(27-23-19)17-10-6-5-7-11-17/h5-13,20-21H,3-4,14-15H2,1-2H3
InChIKeyARMXALAZQRBYRJ-UHFFFAOYSA-N
XLogP4.06
TPSA57.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-ethoxy-3-[3-(5-phenyl-4,5-dihydro-1,2-oxazol-3-yl)phenyl]propanoate?
The IUPAC name of ethyl 2-ethoxy-3-[3-(5-phenyl-4,5-dihydro-1,2-oxazol-3-yl)phenyl]propanoate (CID 25131512) is ethyl 2-ethoxy-3-[3-(5-phenyl-4,5-dihydro-1,2-oxazol-3-yl)phenyl]propanoate.
What is the SMILES notation for ethyl 2-ethoxy-3-[3-(5-phenyl-4,5-dihydro-1,2-oxazol-3-yl)phenyl]propanoate?
The canonical SMILES for ethyl 2-ethoxy-3-[3-(5-phenyl-4,5-dihydro-1,2-oxazol-3-yl)phenyl]propanoate is CCOC(=O)C(Cc1cccc(C2=NOC(c3ccccc3)C2)c1)OCC.
What is the InChIKey of ethyl 2-ethoxy-3-[3-(5-phenyl-4,5-dihydro-1,2-oxazol-3-yl)phenyl]propanoate?
The InChIKey is ARMXALAZQRBYRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25NO4/c1-3-25-21(22(24)26-4-2)14-16-9-8-12-18(13-16)19-15-20(27-23-19)17-10-6-5-7-11-17/h5-13,20-21H,3-4,14-15H2,1-2H3.
What are the key properties of ethyl 2-ethoxy-3-[3-(5-phenyl-4,5-dihydro-1,2-oxazol-3-yl)phenyl]propanoate?
ethyl 2-ethoxy-3-[3-(5-phenyl-4,5-dihydro-1,2-oxazol-3-yl)phenyl]propanoate has a molecular weight of 367.45 g/mol, XLogP of 4.06, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-ethoxy-3-[3-(5-phenyl-4,5-dihydro-1,2-oxazol-3-yl)phenyl]propanoate is sourced from PubChem (CID 25131512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).