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

C18H19N3O — CID 1133725

IUPAC3-methyl-N-[2-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]ethyl]aniline
SMILESCc1ccc(-c2nc(CCNc3cccc(C)c3)no2)cc1
InChIInChI=1S/C18H19N3O/c1-13-6-8-15(9-7-13)18-20-17(21-22-18)10-11-19-16-5-3-4-14(2)12-16/h3-9,12,19H,10-11H2,1-2H3
InChIKeyRWHRZBDMJSFHOX-UHFFFAOYSA-N
MW293.37 g/mol
LogP4.01
Rot. Bonds5

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

3-methyl-N-[2-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]ethyl]aniline (PubChem CID 1133725) has the molecular formula C18H19N3O and a molecular weight of 293.37 g/mol. Its IUPAC name is 3-methyl-N-[2-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]ethyl]aniline.

Molecular Properties

Compound Name3-methyl-N-[2-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]ethyl]aniline
PubChem CID1133725
Molecular FormulaC18H19N3O
Molecular Weight293.37 g/mol
Exact Mass293.15
IUPAC Name3-methyl-N-[2-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]ethyl]aniline
SMILESCc1ccc(-c2nc(CCNc3cccc(C)c3)no2)cc1
InChIInChI=1S/C18H19N3O/c1-13-6-8-15(9-7-13)18-20-17(21-22-18)10-11-19-16-5-3-4-14(2)12-16/h3-9,12,19H,10-11H2,1-2H3
InChIKeyRWHRZBDMJSFHOX-UHFFFAOYSA-N
XLogP4.01
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]ethyl]aniline
CID 1133730
N-[2-[5-(3,4-dimethylphenyl)-1,2,4-oxadiazol-3-yl]ethyl]aniline
CID 1133771
N-[2-[5-(3-methoxyphenyl)-1,2,4-oxadiazol-3-yl]ethyl]aniline
CID 1133778
N-methyl-3-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]propan-1-amine
CID 115079264
2-[5-(4-bromophenyl)-1,2,4-oxadiazol-3-yl]-N-methylethanamine
CID 62343277
2-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]-N-methylethanamine
CID 25220755
3-(4,4-dimethylpentyl)-5-(3-methylphenyl)-1,2,4-oxadiazole
CID 59395695
4-[3-[2-[methyl-[(3-methylphenyl)carbamoyl]amino]ethyl]-1,2,4-oxadiazol-5-yl]-N-propylbenzamide
CID 50826859
N,3-dimethyl-N-[2-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]ethyl]benzamide
CID 53055616
N-[2-(4-fluorophenyl)ethyl]-3-methylaniline
CID 57041855
N-[2-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]ethyl]-N,3-dimethylbenzamide
CID 53055748
N-[2-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]-1,3,5-triazin-2-amine
CID 91773380

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[2-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]ethyl]aniline?
The IUPAC name of 3-methyl-N-[2-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]ethyl]aniline (CID 1133725) is 3-methyl-N-[2-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]ethyl]aniline.
What is the SMILES notation for 3-methyl-N-[2-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]ethyl]aniline?
The canonical SMILES for 3-methyl-N-[2-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]ethyl]aniline is Cc1ccc(-c2nc(CCNc3cccc(C)c3)no2)cc1.
What is the InChIKey of 3-methyl-N-[2-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]ethyl]aniline?
The InChIKey is RWHRZBDMJSFHOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O/c1-13-6-8-15(9-7-13)18-20-17(21-22-18)10-11-19-16-5-3-4-14(2)12-16/h3-9,12,19H,10-11H2,1-2H3.
What are the key properties of 3-methyl-N-[2-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]ethyl]aniline?
3-methyl-N-[2-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]ethyl]aniline has a molecular weight of 293.37 g/mol, XLogP of 4.01, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[2-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]ethyl]aniline is sourced from PubChem (CID 1133725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).