N-[2-[3-[cyclopropyl(ethoxy)methyl]-1,2,4-oxadiazol-5-yl]ethyl]-2-methylpropan-2-amine

C14H25N3O2 — CID 116703622

About N-[2-[3-[cyclopropyl(ethoxy)methyl]-1,2,4-oxadiazol-5-yl]ethyl]-2-methylpropan-2-amine

N-[2-[3-[cyclopropyl(ethoxy)methyl]-1,2,4-oxadiazol-5-yl]ethyl]-2-methylpropan-2-amine (PubChem CID 116703622) has the molecular formula C14H25N3O2 and a molecular weight of 267.37 g/mol. Its IUPAC name is N-[2-[3-[cyclopropyl(ethoxy)methyl]-1,2,4-oxadiazol-5-yl]ethyl]-2-methylpropan-2-amine.

Molecular Properties

• Compound Name: N-[2-[3-[cyclopropyl(ethoxy)methyl]-1,2,4-oxadiazol-5-yl]ethyl]-2-methylpropan-2-amine
• PubChem CID: 116703622
• Molecular Formula: C14H25N3O2
• Molecular Weight: 267.37 g/mol
• Exact Mass: 267.19
• IUPAC Name: N-[2-[3-[cyclopropyl(ethoxy)methyl]-1,2,4-oxadiazol-5-yl]ethyl]-2-methylpropan-2-amine
• SMILES: CCOC(c1noc(CCNC(C)(C)C)n1)C1CC1
• InChI: InChI=1S/C14H25N3O2/c1-5-18-12(10-6-7-10)13-16-11(19-17-13)8-9-15-14(2,3)4/h10,12,15H,5-9H2,1-4H3
• InChIKey: ADRKZTWEKALBFT-UHFFFAOYSA-N
• XLogP: 2.49
• TPSA: 60.18 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 19
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	267.37
LogP ≤ 5	2.49
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-[cyclopropyl(ethoxy)methyl]-1,2,4-oxadiazol-5-yl]ethyl]-2-methylpropan-2-amine?

The IUPAC name of N-[2-[3-[cyclopropyl(ethoxy)methyl]-1,2,4-oxadiazol-5-yl]ethyl]-2-methylpropan-2-amine (CID 116703622) is N-[2-[3-[cyclopropyl(ethoxy)methyl]-1,2,4-oxadiazol-5-yl]ethyl]-2-methylpropan-2-amine.

What is the SMILES notation for N-[2-[3-[cyclopropyl(ethoxy)methyl]-1,2,4-oxadiazol-5-yl]ethyl]-2-methylpropan-2-amine?

The canonical SMILES for N-[2-[3-[cyclopropyl(ethoxy)methyl]-1,2,4-oxadiazol-5-yl]ethyl]-2-methylpropan-2-amine is CCOC(c1noc(CCNC(C)(C)C)n1)C1CC1.

What is the InChIKey of N-[2-[3-[cyclopropyl(ethoxy)methyl]-1,2,4-oxadiazol-5-yl]ethyl]-2-methylpropan-2-amine?

The InChIKey is ADRKZTWEKALBFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2/c1-5-18-12(10-6-7-10)13-16-11(19-17-13)8-9-15-14(2,3)4/h10,12,15H,5-9H2,1-4H3.

What are the key properties of N-[2-[3-[cyclopropyl(ethoxy)methyl]-1,2,4-oxadiazol-5-yl]ethyl]-2-methylpropan-2-amine?

N-[2-[3-[cyclopropyl(ethoxy)methyl]-1,2,4-oxadiazol-5-yl]ethyl]-2-methylpropan-2-amine has a molecular weight of 267.37 g/mol, XLogP of 2.49, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[3-[cyclopropyl(ethoxy)methyl]-1,2,4-oxadiazol-5-yl]ethyl]-2-methylpropan-2-amine is sourced from PubChem (CID 116703622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).