5-(aminomethyl)-N-(1-ethoxypropan-2-yl)-1,3,4-oxadiazol-2-amine

C8H16N4O2 — CID 106970670

IUPAC5-(aminomethyl)-N-(1-ethoxypropan-2-yl)-1,3,4-oxadiazol-2-amine
SMILESCCOCC(C)Nc1nnc(CN)o1
InChIInChI=1S/C8H16N4O2/c1-3-13-5-6(2)10-8-12-11-7(4-9)14-8/h6H,3-5,9H2,1-2H3,(H,10,12)
InChIKeyUEISMYRCOMUWIA-UHFFFAOYSA-N
MW200.24 g/mol
LogP0.37
Rot. Bonds6

About 5-(aminomethyl)-N-(1-ethoxypropan-2-yl)-1,3,4-oxadiazol-2-amine

5-(aminomethyl)-N-(1-ethoxypropan-2-yl)-1,3,4-oxadiazol-2-amine (PubChem CID 106970670) has the molecular formula C8H16N4O2 and a molecular weight of 200.24 g/mol. Its IUPAC name is 5-(aminomethyl)-N-(1-ethoxypropan-2-yl)-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-(aminomethyl)-N-(1-ethoxypropan-2-yl)-1,3,4-oxadiazol-2-amine
PubChem CID106970670
Molecular FormulaC8H16N4O2
Molecular Weight200.24 g/mol
Exact Mass200.13
IUPAC Name5-(aminomethyl)-N-(1-ethoxypropan-2-yl)-1,3,4-oxadiazol-2-amine
SMILESCCOCC(C)Nc1nnc(CN)o1
InChIInChI=1S/C8H16N4O2/c1-3-13-5-6(2)10-8-12-11-7(4-9)14-8/h6H,3-5,9H2,1-2H3,(H,10,12)
InChIKeyUEISMYRCOMUWIA-UHFFFAOYSA-N
XLogP0.37
TPSA86.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-(aminomethyl)-N-(1-ethoxypropan-2-yl)-1,3,4-oxadiazol-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(aminomethyl)-N-pentan-2-yl-1,3,4-oxadiazol-2-amine
CID 106966295
5-(aminomethyl)-N-(1-methoxybutan-2-yl)-1,3,4-oxadiazol-2-amine
CID 106962109
5-(aminomethyl)-N-(1,1-difluoropropan-2-yl)-1,3,4-oxadiazol-2-amine
CID 127011526
5-(2-aminoethyl)-N-pentan-2-yl-1,3,4-oxadiazol-2-amine
CID 106966297
2-N-(1-ethoxypropan-2-yl)-1,3-benzoxazole-2,6-diamine
CID 79893287
5-(aminomethyl)-N-[1-(furan-2-yl)ethyl]-1,3,4-oxadiazol-2-amine
CID 106969017
N-(1-methoxypropan-2-yl)-5-[(2-methylpropylamino)methyl]-1,3,4-oxadiazol-2-amine
CID 106966384
2-N-(1-ethoxypropan-2-yl)-1,3-benzoxazole-2,4-diamine
CID 79893288
5-(aminomethyl)-N-[1-(5-methylthiophen-2-yl)ethyl]-1,3,4-oxadiazol-2-amine
CID 106959621
2-N-(1-ethoxypropan-2-yl)propane-1,2-diamine
CID 103389655
5-(aminomethyl)-N-benzhydryl-1,3,4-oxadiazol-2-amine
CID 106966021
5-(aminomethyl)-N-(2-methyl-3-methylsulfanylpropyl)-1,3,4-oxadiazol-2-amine
CID 106961329

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-N-(1-ethoxypropan-2-yl)-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-(aminomethyl)-N-(1-ethoxypropan-2-yl)-1,3,4-oxadiazol-2-amine (CID 106970670) is 5-(aminomethyl)-N-(1-ethoxypropan-2-yl)-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-(aminomethyl)-N-(1-ethoxypropan-2-yl)-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-(aminomethyl)-N-(1-ethoxypropan-2-yl)-1,3,4-oxadiazol-2-amine is CCOCC(C)Nc1nnc(CN)o1.
What is the InChIKey of 5-(aminomethyl)-N-(1-ethoxypropan-2-yl)-1,3,4-oxadiazol-2-amine?
The InChIKey is UEISMYRCOMUWIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N4O2/c1-3-13-5-6(2)10-8-12-11-7(4-9)14-8/h6H,3-5,9H2,1-2H3,(H,10,12).
What are the key properties of 5-(aminomethyl)-N-(1-ethoxypropan-2-yl)-1,3,4-oxadiazol-2-amine?
5-(aminomethyl)-N-(1-ethoxypropan-2-yl)-1,3,4-oxadiazol-2-amine has a molecular weight of 200.24 g/mol, XLogP of 0.37, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-N-(1-ethoxypropan-2-yl)-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 106970670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).