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

C16H27N3O2 — CID 116733456

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

N-[1-cyclopropyl-2-[3-[cyclopropyl(ethoxy)methyl]-1,2,4-oxadiazol-5-yl]ethyl]propan-1-amine (PubChem CID 116733456) has the molecular formula C16H27N3O2 and a molecular weight of 293.41 g/mol. Its IUPAC name is N-[1-cyclopropyl-2-[3-[cyclopropyl(ethoxy)methyl]-1,2,4-oxadiazol-5-yl]ethyl]propan-1-amine.

Molecular Properties

• Compound Name: N-[1-cyclopropyl-2-[3-[cyclopropyl(ethoxy)methyl]-1,2,4-oxadiazol-5-yl]ethyl]propan-1-amine
• PubChem CID: 116733456
• Molecular Formula: C16H27N3O2
• Molecular Weight: 293.41 g/mol
• Exact Mass: 293.21
• IUPAC Name: N-[1-cyclopropyl-2-[3-[cyclopropyl(ethoxy)methyl]-1,2,4-oxadiazol-5-yl]ethyl]propan-1-amine
• SMILES: CCCNC(Cc1nc(C(OCC)C2CC2)no1)C1CC1
• InChI: InChI=1S/C16H27N3O2/c1-3-9-17-13(11-5-6-11)10-14-18-16(19-21-14)15(20-4-2)12-7-8-12/h11-13,15,17H,3-10H2,1-2H3
• InChIKey: MRTBRMUJPDDUMM-UHFFFAOYSA-N
• XLogP: 2.88
• TPSA: 60.18 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 10
• Heavy Atoms: 21
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	293.41
LogP ≤ 5	2.88
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of N-[1-cyclopropyl-2-[3-[cyclopropyl(ethoxy)methyl]-1,2,4-oxadiazol-5-yl]ethyl]propan-1-amine (CID 116733456) is N-[1-cyclopropyl-2-[3-[cyclopropyl(ethoxy)methyl]-1,2,4-oxadiazol-5-yl]ethyl]propan-1-amine.

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

The canonical SMILES for N-[1-cyclopropyl-2-[3-[cyclopropyl(ethoxy)methyl]-1,2,4-oxadiazol-5-yl]ethyl]propan-1-amine is CCCNC(Cc1nc(C(OCC)C2CC2)no1)C1CC1.

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

The InChIKey is MRTBRMUJPDDUMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O2/c1-3-9-17-13(11-5-6-11)10-14-18-16(19-21-14)15(20-4-2)12-7-8-12/h11-13,15,17H,3-10H2,1-2H3.

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

N-[1-cyclopropyl-2-[3-[cyclopropyl(ethoxy)methyl]-1,2,4-oxadiazol-5-yl]ethyl]propan-1-amine has a molecular weight of 293.41 g/mol, XLogP of 2.88, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-cyclopropyl-2-[3-[cyclopropyl(ethoxy)methyl]-1,2,4-oxadiazol-5-yl]ethyl]propan-1-amine is sourced from PubChem (CID 116733456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).