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

C13H18N4O — CID 106968333

IUPAC5-[1-(methylamino)ethyl]-N-[(4-methylphenyl)methyl]-1,3,4-oxadiazol-2-amine
SMILESCNC(C)c1nnc(NCc2ccc(C)cc2)o1
InChIInChI=1S/C13H18N4O/c1-9-4-6-11(7-5-9)8-15-13-17-16-12(18-13)10(2)14-3/h4-7,10,14H,8H2,1-3H3,(H,15,17)
InChIKeyNGMDQNPFUMRNGC-UHFFFAOYSA-N
MW246.31 g/mol
LogP2.27
Rot. Bonds5

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

5-[1-(methylamino)ethyl]-N-[(4-methylphenyl)methyl]-1,3,4-oxadiazol-2-amine (PubChem CID 106968333) has the molecular formula C13H18N4O and a molecular weight of 246.31 g/mol. Its IUPAC name is 5-[1-(methylamino)ethyl]-N-[(4-methylphenyl)methyl]-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-[1-(methylamino)ethyl]-N-[(4-methylphenyl)methyl]-1,3,4-oxadiazol-2-amine
PubChem CID106968333
Molecular FormulaC13H18N4O
Molecular Weight246.31 g/mol
Exact Mass246.15
IUPAC Name5-[1-(methylamino)ethyl]-N-[(4-methylphenyl)methyl]-1,3,4-oxadiazol-2-amine
SMILESCNC(C)c1nnc(NCc2ccc(C)cc2)o1
InChIInChI=1S/C13H18N4O/c1-9-4-6-11(7-5-9)8-15-13-17-16-12(18-13)10(2)14-3/h4-7,10,14H,8H2,1-3H3,(H,15,17)
InChIKeyNGMDQNPFUMRNGC-UHFFFAOYSA-N
XLogP2.27
TPSA62.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-ethylphenyl)methyl]-5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-amine
CID 106967432
5-(aminomethyl)-N-[(4-methylphenyl)methyl]-1,3,4-oxadiazol-2-amine
CID 106968329
5-[1-(ethylamino)ethyl]-N-[(6-methyl-3-pyridinyl)methyl]-1,3,4-oxadiazol-2-amine
CID 106961036
N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-5-[1-(methylamino)ethyl]-1,3,4-oxadiazol-2-amine
CID 106379118
5-[1-(methylamino)ethyl]-N-(4-methylpentyl)-1,3,4-oxadiazol-2-amine
CID 106961131
N-(2,2-dimethylbutyl)-5-[1-(methylamino)ethyl]-1,3,4-oxadiazol-2-amine
CID 106961960
N-tert-butyl-5-[1-(methylamino)ethyl]-1,3,4-oxadiazol-2-amine
CID 106967549
N-[2-(2-fluorophenyl)ethyl]-5-[1-(methylamino)ethyl]-1,3,4-oxadiazol-2-amine
CID 106966743
5-[1-(methylamino)ethyl]-N-(2-methylsulfanylethyl)-1,3,4-oxadiazol-2-amine
CID 106961321
5-[1-(methylamino)ethyl]-N-[(1-methylcyclohexyl)methyl]-1,3,4-oxadiazol-2-amine
CID 114095232
N-[(4-methylphenyl)methyl]-5-(propylaminomethyl)-1,3,4-oxadiazol-2-amine
CID 106968331
N-(2-ethoxyethyl)-5-[1-(methylamino)ethyl]-1,3,4-oxadiazol-2-amine
CID 106966005

Frequently Asked Questions

What is the IUPAC name of 5-[1-(methylamino)ethyl]-N-[(4-methylphenyl)methyl]-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-[1-(methylamino)ethyl]-N-[(4-methylphenyl)methyl]-1,3,4-oxadiazol-2-amine (CID 106968333) is 5-[1-(methylamino)ethyl]-N-[(4-methylphenyl)methyl]-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-[1-(methylamino)ethyl]-N-[(4-methylphenyl)methyl]-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-[1-(methylamino)ethyl]-N-[(4-methylphenyl)methyl]-1,3,4-oxadiazol-2-amine is CNC(C)c1nnc(NCc2ccc(C)cc2)o1.
What is the InChIKey of 5-[1-(methylamino)ethyl]-N-[(4-methylphenyl)methyl]-1,3,4-oxadiazol-2-amine?
The InChIKey is NGMDQNPFUMRNGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O/c1-9-4-6-11(7-5-9)8-15-13-17-16-12(18-13)10(2)14-3/h4-7,10,14H,8H2,1-3H3,(H,15,17).
What are the key properties of 5-[1-(methylamino)ethyl]-N-[(4-methylphenyl)methyl]-1,3,4-oxadiazol-2-amine?
5-[1-(methylamino)ethyl]-N-[(4-methylphenyl)methyl]-1,3,4-oxadiazol-2-amine has a molecular weight of 246.31 g/mol, XLogP of 2.27, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(methylamino)ethyl]-N-[(4-methylphenyl)methyl]-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 106968333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).