1-(4,5-diphenyl-1,3-oxazol-2-yl)-N,N-diethylethanamine

C21H24N2O — CID 68797002

IUPAC1-(4,5-diphenyl-1,3-oxazol-2-yl)-N,N-diethylethanamine
SMILESCCN(CC)C(C)c1nc(-c2ccccc2)c(-c2ccccc2)o1
InChIInChI=1S/C21H24N2O/c1-4-23(5-2)16(3)21-22-19(17-12-8-6-9-13-17)20(24-21)18-14-10-7-11-15-18/h6-16H,4-5H2,1-3H3
InChIKeyWZFZFQFDNUUUCY-UHFFFAOYSA-N
MW320.44 g/mol
LogP5.41
Rot. Bonds6

About 1-(4,5-diphenyl-1,3-oxazol-2-yl)-N,N-diethylethanamine

1-(4,5-diphenyl-1,3-oxazol-2-yl)-N,N-diethylethanamine (PubChem CID 68797002) has the molecular formula C21H24N2O and a molecular weight of 320.44 g/mol. Its IUPAC name is 1-(4,5-diphenyl-1,3-oxazol-2-yl)-N,N-diethylethanamine.

Molecular Properties

Compound Name1-(4,5-diphenyl-1,3-oxazol-2-yl)-N,N-diethylethanamine
PubChem CID68797002
Molecular FormulaC21H24N2O
Molecular Weight320.44 g/mol
Exact Mass320.19
IUPAC Name1-(4,5-diphenyl-1,3-oxazol-2-yl)-N,N-diethylethanamine
SMILESCCN(CC)C(C)c1nc(-c2ccccc2)c(-c2ccccc2)o1
InChIInChI=1S/C21H24N2O/c1-4-23(5-2)16(3)21-22-19(17-12-8-6-9-13-17)20(24-21)18-14-10-7-11-15-18/h6-16H,4-5H2,1-3H3
InChIKeyWZFZFQFDNUUUCY-UHFFFAOYSA-N
XLogP5.41
TPSA29.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.44
LogP ≤ 55.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4,5-diphenyl-1,3-oxazol-2-yl)-N,N-diethylethanamine?
The IUPAC name of 1-(4,5-diphenyl-1,3-oxazol-2-yl)-N,N-diethylethanamine (CID 68797002) is 1-(4,5-diphenyl-1,3-oxazol-2-yl)-N,N-diethylethanamine.
What is the SMILES notation for 1-(4,5-diphenyl-1,3-oxazol-2-yl)-N,N-diethylethanamine?
The canonical SMILES for 1-(4,5-diphenyl-1,3-oxazol-2-yl)-N,N-diethylethanamine is CCN(CC)C(C)c1nc(-c2ccccc2)c(-c2ccccc2)o1.
What is the InChIKey of 1-(4,5-diphenyl-1,3-oxazol-2-yl)-N,N-diethylethanamine?
The InChIKey is WZFZFQFDNUUUCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O/c1-4-23(5-2)16(3)21-22-19(17-12-8-6-9-13-17)20(24-21)18-14-10-7-11-15-18/h6-16H,4-5H2,1-3H3.
What are the key properties of 1-(4,5-diphenyl-1,3-oxazol-2-yl)-N,N-diethylethanamine?
1-(4,5-diphenyl-1,3-oxazol-2-yl)-N,N-diethylethanamine has a molecular weight of 320.44 g/mol, XLogP of 5.41, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,5-diphenyl-1,3-oxazol-2-yl)-N,N-diethylethanamine is sourced from PubChem (CID 68797002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).