3-[5-(2-chlorophenyl)-4-phenyl-1,3-oxazol-2-yl]-N,N-dimethylpropanamide

C20H19ClN2O2 — CID 177380557

IUPAC3-[5-(2-chlorophenyl)-4-phenyl-1,3-oxazol-2-yl]-N,N-dimethylpropanamide
SMILESCN(C)C(=O)CCc1nc(-c2ccccc2)c(-c2ccccc2Cl)o1
InChIInChI=1S/C20H19ClN2O2/c1-23(2)18(24)13-12-17-22-19(14-8-4-3-5-9-14)20(25-17)15-10-6-7-11-16(15)21/h3-11H,12-13H2,1-2H3
InChIKeyONNLRDYEHSIWHB-UHFFFAOYSA-N
MW354.84 g/mol
LogP4.68
Rot. Bonds5

About 3-[5-(2-chlorophenyl)-4-phenyl-1,3-oxazol-2-yl]-N,N-dimethylpropanamide

3-[5-(2-chlorophenyl)-4-phenyl-1,3-oxazol-2-yl]-N,N-dimethylpropanamide (PubChem CID 177380557) has the molecular formula C20H19ClN2O2 and a molecular weight of 354.84 g/mol. Its IUPAC name is 3-[5-(2-chlorophenyl)-4-phenyl-1,3-oxazol-2-yl]-N,N-dimethylpropanamide.

Molecular Properties

Compound Name3-[5-(2-chlorophenyl)-4-phenyl-1,3-oxazol-2-yl]-N,N-dimethylpropanamide
PubChem CID177380557
Molecular FormulaC20H19ClN2O2
Molecular Weight354.84 g/mol
Exact Mass354.11
IUPAC Name3-[5-(2-chlorophenyl)-4-phenyl-1,3-oxazol-2-yl]-N,N-dimethylpropanamide
SMILESCN(C)C(=O)CCc1nc(-c2ccccc2)c(-c2ccccc2Cl)o1
InChIInChI=1S/C20H19ClN2O2/c1-23(2)18(24)13-12-17-22-19(14-8-4-3-5-9-14)20(25-17)15-10-6-7-11-16(15)21/h3-11H,12-13H2,1-2H3
InChIKeyONNLRDYEHSIWHB-UHFFFAOYSA-N
XLogP4.68
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.84
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[5-(2-chlorophenyl)-4-phenyl-1,3-oxazol-2-yl]-N,N-dimethylpropanamide?
The IUPAC name of 3-[5-(2-chlorophenyl)-4-phenyl-1,3-oxazol-2-yl]-N,N-dimethylpropanamide (CID 177380557) is 3-[5-(2-chlorophenyl)-4-phenyl-1,3-oxazol-2-yl]-N,N-dimethylpropanamide.
What is the SMILES notation for 3-[5-(2-chlorophenyl)-4-phenyl-1,3-oxazol-2-yl]-N,N-dimethylpropanamide?
The canonical SMILES for 3-[5-(2-chlorophenyl)-4-phenyl-1,3-oxazol-2-yl]-N,N-dimethylpropanamide is CN(C)C(=O)CCc1nc(-c2ccccc2)c(-c2ccccc2Cl)o1.
What is the InChIKey of 3-[5-(2-chlorophenyl)-4-phenyl-1,3-oxazol-2-yl]-N,N-dimethylpropanamide?
The InChIKey is ONNLRDYEHSIWHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN2O2/c1-23(2)18(24)13-12-17-22-19(14-8-4-3-5-9-14)20(25-17)15-10-6-7-11-16(15)21/h3-11H,12-13H2,1-2H3.
What are the key properties of 3-[5-(2-chlorophenyl)-4-phenyl-1,3-oxazol-2-yl]-N,N-dimethylpropanamide?
3-[5-(2-chlorophenyl)-4-phenyl-1,3-oxazol-2-yl]-N,N-dimethylpropanamide has a molecular weight of 354.84 g/mol, XLogP of 4.68, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(2-chlorophenyl)-4-phenyl-1,3-oxazol-2-yl]-N,N-dimethylpropanamide is sourced from PubChem (CID 177380557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).