ethyl 4-amino-3-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]-4-oxobutanoate

C25H28N2O5 — CID 10574939

IUPACethyl 4-amino-3-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]-4-oxobutanoate
SMILESCCOC(=O)CC(Cc1ccc(OCCc2nc(-c3ccccc3)oc2C)cc1)C(N)=O
InChIInChI=1S/C25H28N2O5/c1-3-30-23(28)16-20(24(26)29)15-18-9-11-21(12-10-18)31-14-13-22-17(2)32-25(27-22)19-7-5-4-6-8-19/h4-12,20H,3,13-16H2,1-2H3,(H2,26,29)
InChIKeyJZZUDTLMZGTDJG-UHFFFAOYSA-N
MW436.51 g/mol
LogP3.87
Rot. Bonds11

About ethyl 4-amino-3-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]-4-oxobutanoate

ethyl 4-amino-3-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]-4-oxobutanoate (PubChem CID 10574939) has the molecular formula C25H28N2O5 and a molecular weight of 436.51 g/mol. Its IUPAC name is ethyl 4-amino-3-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]-4-oxobutanoate.

Molecular Properties

Compound Nameethyl 4-amino-3-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]-4-oxobutanoate
PubChem CID10574939
Molecular FormulaC25H28N2O5
Molecular Weight436.51 g/mol
Exact Mass436.20
IUPAC Nameethyl 4-amino-3-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]-4-oxobutanoate
SMILESCCOC(=O)CC(Cc1ccc(OCCc2nc(-c3ccccc3)oc2C)cc1)C(N)=O
InChIInChI=1S/C25H28N2O5/c1-3-30-23(28)16-20(24(26)29)15-18-9-11-21(12-10-18)31-14-13-22-17(2)32-25(27-22)19-7-5-4-6-8-19/h4-12,20H,3,13-16H2,1-2H3,(H2,26,29)
InChIKeyJZZUDTLMZGTDJG-UHFFFAOYSA-N
XLogP3.87
TPSA104.65 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.51
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-amino-3-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]-4-oxobutanoate?
The IUPAC name of ethyl 4-amino-3-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]-4-oxobutanoate (CID 10574939) is ethyl 4-amino-3-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]-4-oxobutanoate.
What is the SMILES notation for ethyl 4-amino-3-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]-4-oxobutanoate?
The canonical SMILES for ethyl 4-amino-3-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]-4-oxobutanoate is CCOC(=O)CC(Cc1ccc(OCCc2nc(-c3ccccc3)oc2C)cc1)C(N)=O.
What is the InChIKey of ethyl 4-amino-3-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]-4-oxobutanoate?
The InChIKey is JZZUDTLMZGTDJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O5/c1-3-30-23(28)16-20(24(26)29)15-18-9-11-21(12-10-18)31-14-13-22-17(2)32-25(27-22)19-7-5-4-6-8-19/h4-12,20H,3,13-16H2,1-2H3,(H2,26,29).
What are the key properties of ethyl 4-amino-3-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]-4-oxobutanoate?
ethyl 4-amino-3-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]-4-oxobutanoate has a molecular weight of 436.51 g/mol, XLogP of 3.87, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-amino-3-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]-4-oxobutanoate is sourced from PubChem (CID 10574939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).