2-methyl-N-[2-[5-(2-propoxyethyl)-1,3,4-oxadiazol-2-yl]ethyl]propan-2-amine

C13H25N3O2 — CID 62716856

IUPAC2-methyl-N-[2-[5-(2-propoxyethyl)-1,3,4-oxadiazol-2-yl]ethyl]propan-2-amine
SMILESCCCOCCc1nnc(CCNC(C)(C)C)o1
InChIInChI=1S/C13H25N3O2/c1-5-9-17-10-7-12-16-15-11(18-12)6-8-14-13(2,3)4/h14H,5-10H2,1-4H3
InChIKeyWOCHGPXNVJVUJE-UHFFFAOYSA-N
MW255.36 g/mol
LogP1.97
Rot. Bonds8

About 2-methyl-N-[2-[5-(2-propoxyethyl)-1,3,4-oxadiazol-2-yl]ethyl]propan-2-amine

2-methyl-N-[2-[5-(2-propoxyethyl)-1,3,4-oxadiazol-2-yl]ethyl]propan-2-amine (PubChem CID 62716856) has the molecular formula C13H25N3O2 and a molecular weight of 255.36 g/mol. Its IUPAC name is 2-methyl-N-[2-[5-(2-propoxyethyl)-1,3,4-oxadiazol-2-yl]ethyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[2-[5-(2-propoxyethyl)-1,3,4-oxadiazol-2-yl]ethyl]propan-2-amine
PubChem CID62716856
Molecular FormulaC13H25N3O2
Molecular Weight255.36 g/mol
Exact Mass255.19
IUPAC Name2-methyl-N-[2-[5-(2-propoxyethyl)-1,3,4-oxadiazol-2-yl]ethyl]propan-2-amine
SMILESCCCOCCc1nnc(CCNC(C)(C)C)o1
InChIInChI=1S/C13H25N3O2/c1-5-9-17-10-7-12-16-15-11(18-12)6-8-14-13(2,3)4/h14H,5-10H2,1-4H3
InChIKeyWOCHGPXNVJVUJE-UHFFFAOYSA-N
XLogP1.97
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-methyl-N-[2-[5-(2-propoxyethyl)-1,3,4-oxadiazol-2-yl]ethyl]propan-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 2-methyl-N-[2-[5-(2-propoxyethyl)-1,3,4-oxadiazol-2-yl]ethyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[2-[5-(2-propoxyethyl)-1,3,4-oxadiazol-2-yl]ethyl]propan-2-amine (CID 62716856) is 2-methyl-N-[2-[5-(2-propoxyethyl)-1,3,4-oxadiazol-2-yl]ethyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[2-[5-(2-propoxyethyl)-1,3,4-oxadiazol-2-yl]ethyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[2-[5-(2-propoxyethyl)-1,3,4-oxadiazol-2-yl]ethyl]propan-2-amine is CCCOCCc1nnc(CCNC(C)(C)C)o1.
What is the InChIKey of 2-methyl-N-[2-[5-(2-propoxyethyl)-1,3,4-oxadiazol-2-yl]ethyl]propan-2-amine?
The InChIKey is WOCHGPXNVJVUJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O2/c1-5-9-17-10-7-12-16-15-11(18-12)6-8-14-13(2,3)4/h14H,5-10H2,1-4H3.
What are the key properties of 2-methyl-N-[2-[5-(2-propoxyethyl)-1,3,4-oxadiazol-2-yl]ethyl]propan-2-amine?
2-methyl-N-[2-[5-(2-propoxyethyl)-1,3,4-oxadiazol-2-yl]ethyl]propan-2-amine has a molecular weight of 255.36 g/mol, XLogP of 1.97, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-[5-(2-propoxyethyl)-1,3,4-oxadiazol-2-yl]ethyl]propan-2-amine is sourced from PubChem (CID 62716856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).