2-(diethylamino)ethyl 3-(4,5-diphenyl-1,3-oxazol-2-yl)propanoate

C24H28N2O3 — CID 68798727

IUPAC2-(diethylamino)ethyl 3-(4,5-diphenyl-1,3-oxazol-2-yl)propanoate
SMILESCCN(CC)CCOC(=O)CCc1nc(-c2ccccc2)c(-c2ccccc2)o1
InChIInChI=1S/C24H28N2O3/c1-3-26(4-2)17-18-28-22(27)16-15-21-25-23(19-11-7-5-8-12-19)24(29-21)20-13-9-6-10-14-20/h5-14H,3-4,15-18H2,1-2H3
InChIKeyHXPFPKNNGOHLTK-UHFFFAOYSA-N
MW392.50 g/mol
LogP4.83
Rot. Bonds10

About 2-(diethylamino)ethyl 3-(4,5-diphenyl-1,3-oxazol-2-yl)propanoate

2-(diethylamino)ethyl 3-(4,5-diphenyl-1,3-oxazol-2-yl)propanoate (PubChem CID 68798727) has the molecular formula C24H28N2O3 and a molecular weight of 392.50 g/mol. Its IUPAC name is 2-(diethylamino)ethyl 3-(4,5-diphenyl-1,3-oxazol-2-yl)propanoate.

Molecular Properties

Compound Name2-(diethylamino)ethyl 3-(4,5-diphenyl-1,3-oxazol-2-yl)propanoate
PubChem CID68798727
Molecular FormulaC24H28N2O3
Molecular Weight392.50 g/mol
Exact Mass392.21
IUPAC Name2-(diethylamino)ethyl 3-(4,5-diphenyl-1,3-oxazol-2-yl)propanoate
SMILESCCN(CC)CCOC(=O)CCc1nc(-c2ccccc2)c(-c2ccccc2)o1
InChIInChI=1S/C24H28N2O3/c1-3-26(4-2)17-18-28-22(27)16-15-21-25-23(19-11-7-5-8-12-19)24(29-21)20-13-9-6-10-14-20/h5-14H,3-4,15-18H2,1-2H3
InChIKeyHXPFPKNNGOHLTK-UHFFFAOYSA-N
XLogP4.83
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)ethyl 3-(4,5-diphenyl-1,3-oxazol-2-yl)propanoate?
The IUPAC name of 2-(diethylamino)ethyl 3-(4,5-diphenyl-1,3-oxazol-2-yl)propanoate (CID 68798727) is 2-(diethylamino)ethyl 3-(4,5-diphenyl-1,3-oxazol-2-yl)propanoate.
What is the SMILES notation for 2-(diethylamino)ethyl 3-(4,5-diphenyl-1,3-oxazol-2-yl)propanoate?
The canonical SMILES for 2-(diethylamino)ethyl 3-(4,5-diphenyl-1,3-oxazol-2-yl)propanoate is CCN(CC)CCOC(=O)CCc1nc(-c2ccccc2)c(-c2ccccc2)o1.
What is the InChIKey of 2-(diethylamino)ethyl 3-(4,5-diphenyl-1,3-oxazol-2-yl)propanoate?
The InChIKey is HXPFPKNNGOHLTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O3/c1-3-26(4-2)17-18-28-22(27)16-15-21-25-23(19-11-7-5-8-12-19)24(29-21)20-13-9-6-10-14-20/h5-14H,3-4,15-18H2,1-2H3.
What are the key properties of 2-(diethylamino)ethyl 3-(4,5-diphenyl-1,3-oxazol-2-yl)propanoate?
2-(diethylamino)ethyl 3-(4,5-diphenyl-1,3-oxazol-2-yl)propanoate has a molecular weight of 392.50 g/mol, XLogP of 4.83, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)ethyl 3-(4,5-diphenyl-1,3-oxazol-2-yl)propanoate is sourced from PubChem (CID 68798727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).