N-(2-ethylhexyl)-5-[(2-methoxyethylamino)methyl]-1,3,4-oxadiazol-2-amine

C14H28N4O2 — CID 107819590

IUPACN-(2-ethylhexyl)-5-[(2-methoxyethylamino)methyl]-1,3,4-oxadiazol-2-amine
SMILESCCCCC(CC)CNc1nnc(CNCCOC)o1
InChIInChI=1S/C14H28N4O2/c1-4-6-7-12(5-2)10-16-14-18-17-13(20-14)11-15-8-9-19-3/h12,15H,4-11H2,1-3H3,(H,16,18)
InChIKeyIKFJEQAUDSTYLT-UHFFFAOYSA-N
MW284.40 g/mol
LogP2.43
Rot. Bonds12

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

N-(2-ethylhexyl)-5-[(2-methoxyethylamino)methyl]-1,3,4-oxadiazol-2-amine (PubChem CID 107819590) has the molecular formula C14H28N4O2 and a molecular weight of 284.40 g/mol. Its IUPAC name is N-(2-ethylhexyl)-5-[(2-methoxyethylamino)methyl]-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound NameN-(2-ethylhexyl)-5-[(2-methoxyethylamino)methyl]-1,3,4-oxadiazol-2-amine
PubChem CID107819590
Molecular FormulaC14H28N4O2
Molecular Weight284.40 g/mol
Exact Mass284.22
IUPAC NameN-(2-ethylhexyl)-5-[(2-methoxyethylamino)methyl]-1,3,4-oxadiazol-2-amine
SMILESCCCCC(CC)CNc1nnc(CNCCOC)o1
InChIInChI=1S/C14H28N4O2/c1-4-6-7-12(5-2)10-16-14-18-17-13(20-14)11-15-8-9-19-3/h12,15H,4-11H2,1-3H3,(H,16,18)
InChIKeyIKFJEQAUDSTYLT-UHFFFAOYSA-N
XLogP2.43
TPSA72.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-(2-ethylhexyl)-5-[(2-methoxyethylamino)methyl]-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-(ethylaminomethyl)-N-(2-ethylhexyl)-1,3,4-oxadiazol-2-amine
CID 107819593
5-(2-chloroethyl)-N-(2-ethylhexyl)-1,3,4-oxadiazol-2-amine
CID 107819573
5-(2-aminoethyl)-N-(2-ethylhexyl)-1,3,4-oxadiazol-2-amine
CID 107819587
N-(2-ethoxyethyl)-5-[(2-methoxyethylamino)methyl]-1,3,4-oxadiazol-2-amine
CID 106966006
N-[2-(2-methoxyethoxy)ethyl]-5-[(2-methoxyethylamino)methyl]-1,3,4-oxadiazol-2-amine
CID 106970247
N-(3-ethylpentan-2-yl)-5-[(2-methoxyethylamino)methyl]-1,3,4-oxadiazol-2-amine
CID 106961187
5-[(2-methoxyethylamino)methyl]-N-(1-methylsulfanylbutan-2-yl)-1,3,4-oxadiazol-2-amine
CID 106965524
5-[(2-methoxyethylamino)methyl]-N-(2-methylsulfonylethyl)-1,3,4-oxadiazol-2-amine
CID 106969617
5-(1-aminoethyl)-N-(2-ethylhexyl)-1,3,4-oxadiazol-2-amine
CID 107819595
N-(2-methoxyethyl)-2-[[5-[(2-methoxyethylamino)methyl]-1,3,4-oxadiazol-2-yl]amino]acetamide
CID 106964544
N-[2-[[5-[(2-methoxyethylamino)methyl]-1,3,4-oxadiazol-2-yl]amino]ethyl]methanesulfonamide
CID 106969158
5-[(2-methoxyethylamino)methyl]-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1,3,4-oxadiazol-2-amine
CID 106970844

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylhexyl)-5-[(2-methoxyethylamino)methyl]-1,3,4-oxadiazol-2-amine?
The IUPAC name of N-(2-ethylhexyl)-5-[(2-methoxyethylamino)methyl]-1,3,4-oxadiazol-2-amine (CID 107819590) is N-(2-ethylhexyl)-5-[(2-methoxyethylamino)methyl]-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for N-(2-ethylhexyl)-5-[(2-methoxyethylamino)methyl]-1,3,4-oxadiazol-2-amine?
The canonical SMILES for N-(2-ethylhexyl)-5-[(2-methoxyethylamino)methyl]-1,3,4-oxadiazol-2-amine is CCCCC(CC)CNc1nnc(CNCCOC)o1.
What is the InChIKey of N-(2-ethylhexyl)-5-[(2-methoxyethylamino)methyl]-1,3,4-oxadiazol-2-amine?
The InChIKey is IKFJEQAUDSTYLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N4O2/c1-4-6-7-12(5-2)10-16-14-18-17-13(20-14)11-15-8-9-19-3/h12,15H,4-11H2,1-3H3,(H,16,18).
What are the key properties of N-(2-ethylhexyl)-5-[(2-methoxyethylamino)methyl]-1,3,4-oxadiazol-2-amine?
N-(2-ethylhexyl)-5-[(2-methoxyethylamino)methyl]-1,3,4-oxadiazol-2-amine has a molecular weight of 284.40 g/mol, XLogP of 2.43, 12 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylhexyl)-5-[(2-methoxyethylamino)methyl]-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 107819590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).