5-[3-oxo-3-[(8S)-2-phenyl-8-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]propyl]-1,2-oxazol-3-one

C20H23N5O3 — CID 164692714

About 5-[3-oxo-3-[(8S)-2-phenyl-8-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]propyl]-1,2-oxazol-3-one

5-[3-oxo-3-[(8S)-2-phenyl-8-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]propyl]-1,2-oxazol-3-one (PubChem CID 164692714) has the molecular formula C20H23N5O3 and a molecular weight of 381.44 g/mol. Its IUPAC name is 5-[3-oxo-3-[(8S)-2-phenyl-8-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]propyl]-1,2-oxazol-3-one.

Molecular Properties

• Compound Name: 5-[3-oxo-3-[(8S)-2-phenyl-8-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]propyl]-1,2-oxazol-3-one
• PubChem CID: 164692714
• Molecular Formula: C20H23N5O3
• Molecular Weight: 381.44 g/mol
• Exact Mass: 381.18
• IUPAC Name: 5-[3-oxo-3-[(8S)-2-phenyl-8-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]propyl]-1,2-oxazol-3-one
• SMILES: CC(C)[C@H]1c2nc(-c3ccccc3)nn2CCN1C(=O)CCc1cc(=O)[nH]o1
• InChI: InChI=1S/C20H23N5O3/c1-13(2)18-20-21-19(14-6-4-3-5-7-14)22-25(20)11-10-24(18)17(27)9-8-15-12-16(26)23-28-15/h3-7,12-13,18H,8-11H2,1-2H3,(H,23,26)/t18-/m0/s1
• InChIKey: QWXICGVBGJQXNX-SFHVURJKSA-N
• XLogP: 2.40
• TPSA: 97.02 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	381.44
LogP ≤ 5	2.40
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 5-[3-oxo-3-[(8S)-2-phenyl-8-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]propyl]-1,2-oxazol-3-one?

The IUPAC name of 5-[3-oxo-3-[(8S)-2-phenyl-8-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]propyl]-1,2-oxazol-3-one (CID 164692714) is 5-[3-oxo-3-[(8S)-2-phenyl-8-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]propyl]-1,2-oxazol-3-one.

What is the SMILES notation for 5-[3-oxo-3-[(8S)-2-phenyl-8-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]propyl]-1,2-oxazol-3-one?

The canonical SMILES for 5-[3-oxo-3-[(8S)-2-phenyl-8-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]propyl]-1,2-oxazol-3-one is CC(C)[C@H]1c2nc(-c3ccccc3)nn2CCN1C(=O)CCc1cc(=O)[nH]o1.

What is the InChIKey of 5-[3-oxo-3-[(8S)-2-phenyl-8-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]propyl]-1,2-oxazol-3-one?

The InChIKey is QWXICGVBGJQXNX-SFHVURJKSA-N. The full InChI is InChI=1S/C20H23N5O3/c1-13(2)18-20-21-19(14-6-4-3-5-7-14)22-25(20)11-10-24(18)17(27)9-8-15-12-16(26)23-28-15/h3-7,12-13,18H,8-11H2,1-2H3,(H,23,26)/t18-/m0/s1.

What are the key properties of 5-[3-oxo-3-[(8S)-2-phenyl-8-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]propyl]-1,2-oxazol-3-one?

5-[3-oxo-3-[(8S)-2-phenyl-8-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]propyl]-1,2-oxazol-3-one has a molecular weight of 381.44 g/mol, XLogP of 2.40, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[3-oxo-3-[(8S)-2-phenyl-8-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]propyl]-1,2-oxazol-3-one is sourced from PubChem (CID 164692714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).