N-(3,5-dimethoxyphenyl)-5-[1-(ethylamino)ethyl]-1,3,4-oxadiazol-2-amine

C14H20N4O3 — CID 106966631

IUPACN-(3,5-dimethoxyphenyl)-5-[1-(ethylamino)ethyl]-1,3,4-oxadiazol-2-amine
SMILESCCNC(C)c1nnc(Nc2cc(OC)cc(OC)c2)o1
InChIInChI=1S/C14H20N4O3/c1-5-15-9(2)13-17-18-14(21-13)16-10-6-11(19-3)8-12(7-10)20-4/h6-9,15H,5H2,1-4H3,(H,16,18)
InChIKeyVZFNUUQPFCJOLS-UHFFFAOYSA-N
MW292.34 g/mol
LogP2.50
Rot. Bonds7

About N-(3,5-dimethoxyphenyl)-5-[1-(ethylamino)ethyl]-1,3,4-oxadiazol-2-amine

N-(3,5-dimethoxyphenyl)-5-[1-(ethylamino)ethyl]-1,3,4-oxadiazol-2-amine (PubChem CID 106966631) has the molecular formula C14H20N4O3 and a molecular weight of 292.34 g/mol. Its IUPAC name is N-(3,5-dimethoxyphenyl)-5-[1-(ethylamino)ethyl]-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound NameN-(3,5-dimethoxyphenyl)-5-[1-(ethylamino)ethyl]-1,3,4-oxadiazol-2-amine
PubChem CID106966631
Molecular FormulaC14H20N4O3
Molecular Weight292.34 g/mol
Exact Mass292.15
IUPAC NameN-(3,5-dimethoxyphenyl)-5-[1-(ethylamino)ethyl]-1,3,4-oxadiazol-2-amine
SMILESCCNC(C)c1nnc(Nc2cc(OC)cc(OC)c2)o1
InChIInChI=1S/C14H20N4O3/c1-5-15-9(2)13-17-18-14(21-13)16-10-6-11(19-3)8-12(7-10)20-4/h6-9,15H,5H2,1-4H3,(H,16,18)
InChIKeyVZFNUUQPFCJOLS-UHFFFAOYSA-N
XLogP2.50
TPSA81.44 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-(3,5-dimethoxyphenyl)-5-[1-(ethylamino)ethyl]-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

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethoxyphenyl)-5-[1-(ethylamino)ethyl]-1,3,4-oxadiazol-2-amine?
The IUPAC name of N-(3,5-dimethoxyphenyl)-5-[1-(ethylamino)ethyl]-1,3,4-oxadiazol-2-amine (CID 106966631) is N-(3,5-dimethoxyphenyl)-5-[1-(ethylamino)ethyl]-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for N-(3,5-dimethoxyphenyl)-5-[1-(ethylamino)ethyl]-1,3,4-oxadiazol-2-amine?
The canonical SMILES for N-(3,5-dimethoxyphenyl)-5-[1-(ethylamino)ethyl]-1,3,4-oxadiazol-2-amine is CCNC(C)c1nnc(Nc2cc(OC)cc(OC)c2)o1.
What is the InChIKey of N-(3,5-dimethoxyphenyl)-5-[1-(ethylamino)ethyl]-1,3,4-oxadiazol-2-amine?
The InChIKey is VZFNUUQPFCJOLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O3/c1-5-15-9(2)13-17-18-14(21-13)16-10-6-11(19-3)8-12(7-10)20-4/h6-9,15H,5H2,1-4H3,(H,16,18).
What are the key properties of N-(3,5-dimethoxyphenyl)-5-[1-(ethylamino)ethyl]-1,3,4-oxadiazol-2-amine?
N-(3,5-dimethoxyphenyl)-5-[1-(ethylamino)ethyl]-1,3,4-oxadiazol-2-amine has a molecular weight of 292.34 g/mol, XLogP of 2.50, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethoxyphenyl)-5-[1-(ethylamino)ethyl]-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 106966631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).