2-(2,3-dimethylphenoxy)-N-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]propanamide

C19H18FN3O3 — CID 46299621

IUPAC2-(2,3-dimethylphenoxy)-N-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]propanamide
SMILESCc1cccc(OC(C)C(=O)Nc2noc(-c3ccc(F)cc3)n2)c1C
InChIInChI=1S/C19H18FN3O3/c1-11-5-4-6-16(12(11)2)25-13(3)17(24)21-19-22-18(26-23-19)14-7-9-15(20)10-8-14/h4-10,13H,1-3H3,(H,21,23,24)
InChIKeyHJLBFLLBXDTQBT-UHFFFAOYSA-N
MW355.37 g/mol
LogP3.90
Rot. Bonds5

About 2-(2,3-dimethylphenoxy)-N-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]propanamide

2-(2,3-dimethylphenoxy)-N-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]propanamide (PubChem CID 46299621) has the molecular formula C19H18FN3O3 and a molecular weight of 355.37 g/mol. Its IUPAC name is 2-(2,3-dimethylphenoxy)-N-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]propanamide.

Molecular Properties

Compound Name2-(2,3-dimethylphenoxy)-N-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]propanamide
PubChem CID46299621
Molecular FormulaC19H18FN3O3
Molecular Weight355.37 g/mol
Exact Mass355.13
IUPAC Name2-(2,3-dimethylphenoxy)-N-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]propanamide
SMILESCc1cccc(OC(C)C(=O)Nc2noc(-c3ccc(F)cc3)n2)c1C
InChIInChI=1S/C19H18FN3O3/c1-11-5-4-6-16(12(11)2)25-13(3)17(24)21-19-22-18(26-23-19)14-7-9-15(20)10-8-14/h4-10,13H,1-3H3,(H,21,23,24)
InChIKeyHJLBFLLBXDTQBT-UHFFFAOYSA-N
XLogP3.90
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.37
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dimethylphenoxy)-N-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]propanamide?
The IUPAC name of 2-(2,3-dimethylphenoxy)-N-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]propanamide (CID 46299621) is 2-(2,3-dimethylphenoxy)-N-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]propanamide.
What is the SMILES notation for 2-(2,3-dimethylphenoxy)-N-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]propanamide?
The canonical SMILES for 2-(2,3-dimethylphenoxy)-N-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]propanamide is Cc1cccc(OC(C)C(=O)Nc2noc(-c3ccc(F)cc3)n2)c1C.
What is the InChIKey of 2-(2,3-dimethylphenoxy)-N-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]propanamide?
The InChIKey is HJLBFLLBXDTQBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3O3/c1-11-5-4-6-16(12(11)2)25-13(3)17(24)21-19-22-18(26-23-19)14-7-9-15(20)10-8-14/h4-10,13H,1-3H3,(H,21,23,24).
What are the key properties of 2-(2,3-dimethylphenoxy)-N-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]propanamide?
2-(2,3-dimethylphenoxy)-N-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]propanamide has a molecular weight of 355.37 g/mol, XLogP of 3.90, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dimethylphenoxy)-N-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]propanamide is sourced from PubChem (CID 46299621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).