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

C16H26N4O — CID 79109146

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

1-[1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]pyrrol-3-yl]-2-methyl-N-propylpropan-1-amine (PubChem CID 79109146) has the molecular formula C16H26N4O and a molecular weight of 290.41 g/mol. Its IUPAC name is 1-[1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]pyrrol-3-yl]-2-methyl-N-propylpropan-1-amine.

Molecular Properties

• Compound Name: 1-[1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]pyrrol-3-yl]-2-methyl-N-propylpropan-1-amine
• PubChem CID: 79109146
• Molecular Formula: C16H26N4O
• Molecular Weight: 290.41 g/mol
• Exact Mass: 290.21
• IUPAC Name: 1-[1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]pyrrol-3-yl]-2-methyl-N-propylpropan-1-amine
• SMILES: CCCNC(c1ccn(Cc2noc(CC)n2)c1)C(C)C
• InChI: InChI=1S/C16H26N4O/c1-5-8-17-16(12(3)4)13-7-9-20(10-13)11-14-18-15(6-2)21-19-14/h7,9-10,12,16-17H,5-6,8,11H2,1-4H3
• InChIKey: MRKWPGDWISHQCI-UHFFFAOYSA-N
• XLogP: 3.18
• TPSA: 55.88 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 21
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	290.41
LogP ≤ 5	3.18
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 1-[1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]pyrrol-3-yl]-2-methyl-N-propylpropan-1-amine (CID 79109146) is 1-[1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]pyrrol-3-yl]-2-methyl-N-propylpropan-1-amine.

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

The canonical SMILES for 1-[1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]pyrrol-3-yl]-2-methyl-N-propylpropan-1-amine is CCCNC(c1ccn(Cc2noc(CC)n2)c1)C(C)C.

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

The InChIKey is MRKWPGDWISHQCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O/c1-5-8-17-16(12(3)4)13-7-9-20(10-13)11-14-18-15(6-2)21-19-14/h7,9-10,12,16-17H,5-6,8,11H2,1-4H3.

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

1-[1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]pyrrol-3-yl]-2-methyl-N-propylpropan-1-amine has a molecular weight of 290.41 g/mol, XLogP of 3.18, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]pyrrol-3-yl]-2-methyl-N-propylpropan-1-amine is sourced from PubChem (CID 79109146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).