5-(4-methylphenyl)-3-[5-[4-[[[(3S)-oxolan-3-yl]amino]methyl]phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-amine

C24H24N6O2 — CID 135270382

About 5-(4-methylphenyl)-3-[5-[4-[[[(3S)-oxolan-3-yl]amino]methyl]phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-amine

5-(4-methylphenyl)-3-[5-[4-[[[(3S)-oxolan-3-yl]amino]methyl]phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-amine (PubChem CID 135270382) has the molecular formula C24H24N6O2 and a molecular weight of 428.50 g/mol. Its IUPAC name is 5-(4-methylphenyl)-3-[5-[4-[[[(3S)-oxolan-3-yl]amino]methyl]phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-amine.

Molecular Properties

• Compound Name: 5-(4-methylphenyl)-3-[5-[4-[[[(3S)-oxolan-3-yl]amino]methyl]phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-amine
• PubChem CID: 135270382
• Molecular Formula: C24H24N6O2
• Molecular Weight: 428.50 g/mol
• Exact Mass: 428.20
• IUPAC Name: 5-(4-methylphenyl)-3-[5-[4-[[[(3S)-oxolan-3-yl]amino]methyl]phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-amine
• SMILES: Cc1ccc(-c2cnc(N)c(-c3nnc(-c4ccc(CN[C@H]5CCOC5)cc4)o3)n2)cc1
• InChI: InChI=1S/C24H24N6O2/c1-15-2-6-17(7-3-15)20-13-27-22(25)21(28-20)24-30-29-23(32-24)18-8-4-16(5-9-18)12-26-19-10-11-31-14-19/h2-9,13,19,26H,10-12,14H2,1H3,(H2,25,27)/t19-/m0/s1
• InChIKey: GVVUPMGPGPTGIK-IBGZPJMESA-N
• XLogP: 3.63
• TPSA: 111.98 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	428.50
LogP ≤ 5	3.63
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 5-(4-methylphenyl)-3-[5-[4-[[[(3S)-oxolan-3-yl]amino]methyl]phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-amine?

The IUPAC name of 5-(4-methylphenyl)-3-[5-[4-[[[(3S)-oxolan-3-yl]amino]methyl]phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-amine (CID 135270382) is 5-(4-methylphenyl)-3-[5-[4-[[[(3S)-oxolan-3-yl]amino]methyl]phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-amine.

What is the SMILES notation for 5-(4-methylphenyl)-3-[5-[4-[[[(3S)-oxolan-3-yl]amino]methyl]phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-amine?

The canonical SMILES for 5-(4-methylphenyl)-3-[5-[4-[[[(3S)-oxolan-3-yl]amino]methyl]phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-amine is Cc1ccc(-c2cnc(N)c(-c3nnc(-c4ccc(CN[C@H]5CCOC5)cc4)o3)n2)cc1.

What is the InChIKey of 5-(4-methylphenyl)-3-[5-[4-[[[(3S)-oxolan-3-yl]amino]methyl]phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-amine?

The InChIKey is GVVUPMGPGPTGIK-IBGZPJMESA-N. The full InChI is InChI=1S/C24H24N6O2/c1-15-2-6-17(7-3-15)20-13-27-22(25)21(28-20)24-30-29-23(32-24)18-8-4-16(5-9-18)12-26-19-10-11-31-14-19/h2-9,13,19,26H,10-12,14H2,1H3,(H2,25,27)/t19-/m0/s1.

What are the key properties of 5-(4-methylphenyl)-3-[5-[4-[[[(3S)-oxolan-3-yl]amino]methyl]phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-amine?

5-(4-methylphenyl)-3-[5-[4-[[[(3S)-oxolan-3-yl]amino]methyl]phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-amine has a molecular weight of 428.50 g/mol, XLogP of 3.63, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(4-methylphenyl)-3-[5-[4-[[[(3S)-oxolan-3-yl]amino]methyl]phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-amine is sourced from PubChem (CID 135270382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).