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

C13H21N5O2 — CID 106379121

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

N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-amine (PubChem CID 106379121) has the molecular formula C13H21N5O2 and a molecular weight of 279.34 g/mol. Its IUPAC name is N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-amine.

Molecular Properties

• Compound Name: N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-amine
• PubChem CID: 106379121
• Molecular Formula: C13H21N5O2
• Molecular Weight: 279.34 g/mol
• Exact Mass: 279.17
• IUPAC Name: N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-amine
• SMILES: CCCNC(C)c1nnc(NCc2ncc(CC)o2)o1
• InChI: InChI=1S/C13H21N5O2/c1-4-6-14-9(3)12-17-18-13(20-12)16-8-11-15-7-10(5-2)19-11/h7,9,14H,4-6,8H2,1-3H3,(H,16,18)
• InChIKey: AEVGVZRINGHHOZ-UHFFFAOYSA-N
• XLogP: 2.29
• TPSA: 89.01 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 20
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	279.34
LogP ≤ 5	2.29
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-amine (CID 106379121) is N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-amine.

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

The canonical SMILES for N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-amine is CCCNC(C)c1nnc(NCc2ncc(CC)o2)o1.

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

The InChIKey is AEVGVZRINGHHOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O2/c1-4-6-14-9(3)12-17-18-13(20-12)16-8-11-15-7-10(5-2)19-11/h7,9,14H,4-6,8H2,1-3H3,(H,16,18).

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

N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-amine has a molecular weight of 279.34 g/mol, XLogP of 2.29, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 106379121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).