N-[2-(3,5-dimethylphenoxy)ethyl]-N-methyl-3-(5-phenyl-1,3-oxazol-2-yl)propanamide

C23H26N2O3 — CID 18157368

IUPACN-[2-(3,5-dimethylphenoxy)ethyl]-N-methyl-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
SMILESCc1cc(C)cc(OCCN(C)C(=O)CCc2ncc(-c3ccccc3)o2)c1
InChIInChI=1S/C23H26N2O3/c1-17-13-18(2)15-20(14-17)27-12-11-25(3)23(26)10-9-22-24-16-21(28-22)19-7-5-4-6-8-19/h4-8,13-16H,9-12H2,1-3H3
InChIKeyCFXCYURJGXGVLL-UHFFFAOYSA-N
MW378.47 g/mol
LogP4.43
Rot. Bonds8

About N-[2-(3,5-dimethylphenoxy)ethyl]-N-methyl-3-(5-phenyl-1,3-oxazol-2-yl)propanamide

N-[2-(3,5-dimethylphenoxy)ethyl]-N-methyl-3-(5-phenyl-1,3-oxazol-2-yl)propanamide (PubChem CID 18157368) has the molecular formula C23H26N2O3 and a molecular weight of 378.47 g/mol. Its IUPAC name is N-[2-(3,5-dimethylphenoxy)ethyl]-N-methyl-3-(5-phenyl-1,3-oxazol-2-yl)propanamide.

Molecular Properties

Compound NameN-[2-(3,5-dimethylphenoxy)ethyl]-N-methyl-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
PubChem CID18157368
Molecular FormulaC23H26N2O3
Molecular Weight378.47 g/mol
Exact Mass378.19
IUPAC NameN-[2-(3,5-dimethylphenoxy)ethyl]-N-methyl-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
SMILESCc1cc(C)cc(OCCN(C)C(=O)CCc2ncc(-c3ccccc3)o2)c1
InChIInChI=1S/C23H26N2O3/c1-17-13-18(2)15-20(14-17)27-12-11-25(3)23(26)10-9-22-24-16-21(28-22)19-7-5-4-6-8-19/h4-8,13-16H,9-12H2,1-3H3
InChIKeyCFXCYURJGXGVLL-UHFFFAOYSA-N
XLogP4.43
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.47
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-dimethylphenoxy)ethyl]-N-methyl-3-(5-phenyl-1,3-oxazol-2-yl)propanamide?
The IUPAC name of N-[2-(3,5-dimethylphenoxy)ethyl]-N-methyl-3-(5-phenyl-1,3-oxazol-2-yl)propanamide (CID 18157368) is N-[2-(3,5-dimethylphenoxy)ethyl]-N-methyl-3-(5-phenyl-1,3-oxazol-2-yl)propanamide.
What is the SMILES notation for N-[2-(3,5-dimethylphenoxy)ethyl]-N-methyl-3-(5-phenyl-1,3-oxazol-2-yl)propanamide?
The canonical SMILES for N-[2-(3,5-dimethylphenoxy)ethyl]-N-methyl-3-(5-phenyl-1,3-oxazol-2-yl)propanamide is Cc1cc(C)cc(OCCN(C)C(=O)CCc2ncc(-c3ccccc3)o2)c1.
What is the InChIKey of N-[2-(3,5-dimethylphenoxy)ethyl]-N-methyl-3-(5-phenyl-1,3-oxazol-2-yl)propanamide?
The InChIKey is CFXCYURJGXGVLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O3/c1-17-13-18(2)15-20(14-17)27-12-11-25(3)23(26)10-9-22-24-16-21(28-22)19-7-5-4-6-8-19/h4-8,13-16H,9-12H2,1-3H3.
What are the key properties of N-[2-(3,5-dimethylphenoxy)ethyl]-N-methyl-3-(5-phenyl-1,3-oxazol-2-yl)propanamide?
N-[2-(3,5-dimethylphenoxy)ethyl]-N-methyl-3-(5-phenyl-1,3-oxazol-2-yl)propanamide has a molecular weight of 378.47 g/mol, XLogP of 4.43, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,5-dimethylphenoxy)ethyl]-N-methyl-3-(5-phenyl-1,3-oxazol-2-yl)propanamide is sourced from PubChem (CID 18157368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).