5-(ethylaminomethyl)-N-[(4-ethylphenyl)methyl]-1,3,4-oxadiazol-2-amine

C14H20N4O — CID 106967437

IUPAC5-(ethylaminomethyl)-N-[(4-ethylphenyl)methyl]-1,3,4-oxadiazol-2-amine
SMILESCCNCc1nnc(NCc2ccc(CC)cc2)o1
InChIInChI=1S/C14H20N4O/c1-3-11-5-7-12(8-6-11)9-16-14-18-17-13(19-14)10-15-4-2/h5-8,15H,3-4,9-10H2,1-2H3,(H,16,18)
InChIKeyBHZYRTJAGJIRGU-UHFFFAOYSA-N
MW260.34 g/mol
LogP2.35
Rot. Bonds7

About 5-(ethylaminomethyl)-N-[(4-ethylphenyl)methyl]-1,3,4-oxadiazol-2-amine

5-(ethylaminomethyl)-N-[(4-ethylphenyl)methyl]-1,3,4-oxadiazol-2-amine (PubChem CID 106967437) has the molecular formula C14H20N4O and a molecular weight of 260.34 g/mol. Its IUPAC name is 5-(ethylaminomethyl)-N-[(4-ethylphenyl)methyl]-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-(ethylaminomethyl)-N-[(4-ethylphenyl)methyl]-1,3,4-oxadiazol-2-amine
PubChem CID106967437
Molecular FormulaC14H20N4O
Molecular Weight260.34 g/mol
Exact Mass260.16
IUPAC Name5-(ethylaminomethyl)-N-[(4-ethylphenyl)methyl]-1,3,4-oxadiazol-2-amine
SMILESCCNCc1nnc(NCc2ccc(CC)cc2)o1
InChIInChI=1S/C14H20N4O/c1-3-11-5-7-12(8-6-11)9-16-14-18-17-13(19-14)10-15-4-2/h5-8,15H,3-4,9-10H2,1-2H3,(H,16,18)
InChIKeyBHZYRTJAGJIRGU-UHFFFAOYSA-N
XLogP2.35
TPSA62.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(cyclopropylamino)methyl]-N-[(4-ethylphenyl)methyl]-1,3,4-oxadiazol-2-amine
CID 106967429
5-(ethylaminomethyl)-N-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-amine
CID 106969546
N-[(4-methylphenyl)methyl]-5-(propylaminomethyl)-1,3,4-oxadiazol-2-amine
CID 106968331
N-[(4-tert-butylphenyl)methyl]-5-ethyl-1,3,4-oxadiazol-2-amine
CID 72904267
5-(ethylaminomethyl)-N-[(3-methylthiophen-2-yl)methyl]-1,3,4-oxadiazol-2-amine
CID 106963515
5-(ethylaminomethyl)-N-(3-phenylpropyl)-1,3,4-oxadiazol-2-amine
CID 106969533
5-(aminomethyl)-N-[(4-methylphenyl)methyl]-1,3,4-oxadiazol-2-amine
CID 106968329
N-[(4-bromophenyl)methyl]-5-[(2-methoxyethylamino)methyl]-1,3,4-oxadiazol-2-amine
CID 106968346
5-(ethylaminomethyl)-N-(2-methylbutyl)-1,3,4-oxadiazol-2-amine
CID 106960518
5-(ethylaminomethyl)-N-(2-phenylpropyl)-1,3,4-oxadiazol-2-amine
CID 106964891
N-[(5-ethylfuran-2-yl)methyl]-5-propyl-1,3,4-oxadiazol-2-amine
CID 86782910
4-[[(5-propyl-1,3,4-oxadiazol-2-yl)amino]methyl]benzenesulfonamide
CID 72923330

Frequently Asked Questions

What is the IUPAC name of 5-(ethylaminomethyl)-N-[(4-ethylphenyl)methyl]-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-(ethylaminomethyl)-N-[(4-ethylphenyl)methyl]-1,3,4-oxadiazol-2-amine (CID 106967437) is 5-(ethylaminomethyl)-N-[(4-ethylphenyl)methyl]-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-(ethylaminomethyl)-N-[(4-ethylphenyl)methyl]-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-(ethylaminomethyl)-N-[(4-ethylphenyl)methyl]-1,3,4-oxadiazol-2-amine is CCNCc1nnc(NCc2ccc(CC)cc2)o1.
What is the InChIKey of 5-(ethylaminomethyl)-N-[(4-ethylphenyl)methyl]-1,3,4-oxadiazol-2-amine?
The InChIKey is BHZYRTJAGJIRGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O/c1-3-11-5-7-12(8-6-11)9-16-14-18-17-13(19-14)10-15-4-2/h5-8,15H,3-4,9-10H2,1-2H3,(H,16,18).
What are the key properties of 5-(ethylaminomethyl)-N-[(4-ethylphenyl)methyl]-1,3,4-oxadiazol-2-amine?
5-(ethylaminomethyl)-N-[(4-ethylphenyl)methyl]-1,3,4-oxadiazol-2-amine has a molecular weight of 260.34 g/mol, XLogP of 2.35, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(ethylaminomethyl)-N-[(4-ethylphenyl)methyl]-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 106967437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).