ethyl 3-[4-(diethylamino)phenyl]-1,2-oxazole-5-carboxylate

C16H20N2O3 — CID 845072

IUPACethyl 3-[4-(diethylamino)phenyl]-1,2-oxazole-5-carboxylate
SMILESCCOC(=O)c1cc(-c2ccc(N(CC)CC)cc2)no1
InChIInChI=1S/C16H20N2O3/c1-4-18(5-2)13-9-7-12(8-10-13)14-11-15(21-17-14)16(19)20-6-3/h7-11H,4-6H2,1-3H3
InChIKeyJPXXLMJSIPEPCV-UHFFFAOYSA-N
MW288.35 g/mol
LogP3.36
Rot. Bonds6

About ethyl 3-[4-(diethylamino)phenyl]-1,2-oxazole-5-carboxylate

ethyl 3-[4-(diethylamino)phenyl]-1,2-oxazole-5-carboxylate (PubChem CID 845072) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is ethyl 3-[4-(diethylamino)phenyl]-1,2-oxazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 3-[4-(diethylamino)phenyl]-1,2-oxazole-5-carboxylate
PubChem CID845072
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC Nameethyl 3-[4-(diethylamino)phenyl]-1,2-oxazole-5-carboxylate
SMILESCCOC(=O)c1cc(-c2ccc(N(CC)CC)cc2)no1
InChIInChI=1S/C16H20N2O3/c1-4-18(5-2)13-9-7-12(8-10-13)14-11-15(21-17-14)16(19)20-6-3/h7-11H,4-6H2,1-3H3
InChIKeyJPXXLMJSIPEPCV-UHFFFAOYSA-N
XLogP3.36
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-[4-(diethylamino)phenyl]-1,2-oxazole-5-carboxylate?
The IUPAC name of ethyl 3-[4-(diethylamino)phenyl]-1,2-oxazole-5-carboxylate (CID 845072) is ethyl 3-[4-(diethylamino)phenyl]-1,2-oxazole-5-carboxylate.
What is the SMILES notation for ethyl 3-[4-(diethylamino)phenyl]-1,2-oxazole-5-carboxylate?
The canonical SMILES for ethyl 3-[4-(diethylamino)phenyl]-1,2-oxazole-5-carboxylate is CCOC(=O)c1cc(-c2ccc(N(CC)CC)cc2)no1.
What is the InChIKey of ethyl 3-[4-(diethylamino)phenyl]-1,2-oxazole-5-carboxylate?
The InChIKey is JPXXLMJSIPEPCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3/c1-4-18(5-2)13-9-7-12(8-10-13)14-11-15(21-17-14)16(19)20-6-3/h7-11H,4-6H2,1-3H3.
What are the key properties of ethyl 3-[4-(diethylamino)phenyl]-1,2-oxazole-5-carboxylate?
ethyl 3-[4-(diethylamino)phenyl]-1,2-oxazole-5-carboxylate has a molecular weight of 288.35 g/mol, XLogP of 3.36, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[4-(diethylamino)phenyl]-1,2-oxazole-5-carboxylate is sourced from PubChem (CID 845072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).