3-(2-aminophenyl)-N-[5-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-methylphenyl]propanamide

C20H22N4O2 — CID 120611694

IUPAC3-(2-aminophenyl)-N-[5-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-methylphenyl]propanamide
SMILESCCc1noc(-c2ccc(C)c(NC(=O)CCc3ccccc3N)c2)n1
InChIInChI=1S/C20H22N4O2/c1-3-18-23-20(26-24-18)15-9-8-13(2)17(12-15)22-19(25)11-10-14-6-4-5-7-16(14)21/h4-9,12H,3,10-11,21H2,1-2H3,(H,22,25)
InChIKeyCIXLLTSJYSIHEQ-UHFFFAOYSA-N
MW350.42 g/mol
LogP3.76
Rot. Bonds6

About 3-(2-aminophenyl)-N-[5-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-methylphenyl]propanamide

3-(2-aminophenyl)-N-[5-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-methylphenyl]propanamide (PubChem CID 120611694) has the molecular formula C20H22N4O2 and a molecular weight of 350.42 g/mol. Its IUPAC name is 3-(2-aminophenyl)-N-[5-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-methylphenyl]propanamide.

Molecular Properties

Compound Name3-(2-aminophenyl)-N-[5-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-methylphenyl]propanamide
PubChem CID120611694
Molecular FormulaC20H22N4O2
Molecular Weight350.42 g/mol
Exact Mass350.17
IUPAC Name3-(2-aminophenyl)-N-[5-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-methylphenyl]propanamide
SMILESCCc1noc(-c2ccc(C)c(NC(=O)CCc3ccccc3N)c2)n1
InChIInChI=1S/C20H22N4O2/c1-3-18-23-20(26-24-18)15-9-8-13(2)17(12-15)22-19(25)11-10-14-6-4-5-7-16(14)21/h4-9,12H,3,10-11,21H2,1-2H3,(H,22,25)
InChIKeyCIXLLTSJYSIHEQ-UHFFFAOYSA-N
XLogP3.76
TPSA94.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(2-aminophenyl)-N-[5-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-methylphenyl]propanamide?
The IUPAC name of 3-(2-aminophenyl)-N-[5-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-methylphenyl]propanamide (CID 120611694) is 3-(2-aminophenyl)-N-[5-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-methylphenyl]propanamide.
What is the SMILES notation for 3-(2-aminophenyl)-N-[5-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-methylphenyl]propanamide?
The canonical SMILES for 3-(2-aminophenyl)-N-[5-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-methylphenyl]propanamide is CCc1noc(-c2ccc(C)c(NC(=O)CCc3ccccc3N)c2)n1.
What is the InChIKey of 3-(2-aminophenyl)-N-[5-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-methylphenyl]propanamide?
The InChIKey is CIXLLTSJYSIHEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O2/c1-3-18-23-20(26-24-18)15-9-8-13(2)17(12-15)22-19(25)11-10-14-6-4-5-7-16(14)21/h4-9,12H,3,10-11,21H2,1-2H3,(H,22,25).
What are the key properties of 3-(2-aminophenyl)-N-[5-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-methylphenyl]propanamide?
3-(2-aminophenyl)-N-[5-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-methylphenyl]propanamide has a molecular weight of 350.42 g/mol, XLogP of 3.76, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminophenyl)-N-[5-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-methylphenyl]propanamide is sourced from PubChem (CID 120611694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).