5-[(propan-2-ylamino)methyl]-N-[(4-propan-2-ylphenyl)methyl]-1,3,4-oxadiazol-2-amine

C16H24N4O — CID 106959334

About 5-[(propan-2-ylamino)methyl]-N-[(4-propan-2-ylphenyl)methyl]-1,3,4-oxadiazol-2-amine

5-[(propan-2-ylamino)methyl]-N-[(4-propan-2-ylphenyl)methyl]-1,3,4-oxadiazol-2-amine (PubChem CID 106959334) has the molecular formula C16H24N4O and a molecular weight of 288.40 g/mol. Its IUPAC name is 5-[(propan-2-ylamino)methyl]-N-[(4-propan-2-ylphenyl)methyl]-1,3,4-oxadiazol-2-amine.

Molecular Properties

• Compound Name: 5-[(propan-2-ylamino)methyl]-N-[(4-propan-2-ylphenyl)methyl]-1,3,4-oxadiazol-2-amine
• PubChem CID: 106959334
• Molecular Formula: C16H24N4O
• Molecular Weight: 288.40 g/mol
• Exact Mass: 288.20
• IUPAC Name: 5-[(propan-2-ylamino)methyl]-N-[(4-propan-2-ylphenyl)methyl]-1,3,4-oxadiazol-2-amine
• SMILES: CC(C)NCc1nnc(NCc2ccc(C(C)C)cc2)o1
• InChI: InChI=1S/C16H24N4O/c1-11(2)14-7-5-13(6-8-14)9-18-16-20-19-15(21-16)10-17-12(3)4/h5-8,11-12,17H,9-10H2,1-4H3,(H,18,20)
• InChIKey: OOYRKPRFCXMZQZ-UHFFFAOYSA-N
• XLogP: 3.30
• TPSA: 62.98 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 21
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	288.40
LogP ≤ 5	3.30
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 5-[(propan-2-ylamino)methyl]-N-[(4-propan-2-ylphenyl)methyl]-1,3,4-oxadiazol-2-amine?

The IUPAC name of 5-[(propan-2-ylamino)methyl]-N-[(4-propan-2-ylphenyl)methyl]-1,3,4-oxadiazol-2-amine (CID 106959334) is 5-[(propan-2-ylamino)methyl]-N-[(4-propan-2-ylphenyl)methyl]-1,3,4-oxadiazol-2-amine.

What is the SMILES notation for 5-[(propan-2-ylamino)methyl]-N-[(4-propan-2-ylphenyl)methyl]-1,3,4-oxadiazol-2-amine?

The canonical SMILES for 5-[(propan-2-ylamino)methyl]-N-[(4-propan-2-ylphenyl)methyl]-1,3,4-oxadiazol-2-amine is CC(C)NCc1nnc(NCc2ccc(C(C)C)cc2)o1.

What is the InChIKey of 5-[(propan-2-ylamino)methyl]-N-[(4-propan-2-ylphenyl)methyl]-1,3,4-oxadiazol-2-amine?

The InChIKey is OOYRKPRFCXMZQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O/c1-11(2)14-7-5-13(6-8-14)9-18-16-20-19-15(21-16)10-17-12(3)4/h5-8,11-12,17H,9-10H2,1-4H3,(H,18,20).

What are the key properties of 5-[(propan-2-ylamino)methyl]-N-[(4-propan-2-ylphenyl)methyl]-1,3,4-oxadiazol-2-amine?

5-[(propan-2-ylamino)methyl]-N-[(4-propan-2-ylphenyl)methyl]-1,3,4-oxadiazol-2-amine has a molecular weight of 288.40 g/mol, XLogP of 3.30, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(propan-2-ylamino)methyl]-N-[(4-propan-2-ylphenyl)methyl]-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 106959334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).