1,3-benzoxazol-2-yl-[(3S)-3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone

C19H18N6O2 — CID 147171615

About 1,3-benzoxazol-2-yl-[(3S)-3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone

1,3-benzoxazol-2-yl-[(3S)-3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone (PubChem CID 147171615) has the molecular formula C19H18N6O2 and a molecular weight of 362.39 g/mol. Its IUPAC name is 1,3-benzoxazol-2-yl-[(3S)-3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone.

Molecular Properties

• Compound Name: 1,3-benzoxazol-2-yl-[(3S)-3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone
• PubChem CID: 147171615
• Molecular Formula: C19H18N6O2
• Molecular Weight: 362.39 g/mol
• Exact Mass: 362.15
• IUPAC Name: 1,3-benzoxazol-2-yl-[(3S)-3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone
• SMILES: Cc1cc([C@H]2CCCN(C(=O)c3nc4ccccc4o3)C2)n2ncnc2n1
• InChI: InChI=1S/C19H18N6O2/c1-12-9-15(25-19(22-12)20-11-21-25)13-5-4-8-24(10-13)18(26)17-23-14-6-2-3-7-16(14)27-17/h2-3,6-7,9,11,13H,4-5,8,10H2,1H3/t13-/m0/s1
• InChIKey: BXVCHTYWOBNBJY-ZDUSSCGKSA-N
• XLogP: 2.59
• TPSA: 89.42 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 2
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	362.39
LogP ≤ 5	2.59
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 1,3-benzoxazol-2-yl-[(3S)-3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone?

The IUPAC name of 1,3-benzoxazol-2-yl-[(3S)-3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone (CID 147171615) is 1,3-benzoxazol-2-yl-[(3S)-3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone.

What is the SMILES notation for 1,3-benzoxazol-2-yl-[(3S)-3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone?

The canonical SMILES for 1,3-benzoxazol-2-yl-[(3S)-3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone is Cc1cc([C@H]2CCCN(C(=O)c3nc4ccccc4o3)C2)n2ncnc2n1.

What is the InChIKey of 1,3-benzoxazol-2-yl-[(3S)-3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone?

The InChIKey is BXVCHTYWOBNBJY-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H18N6O2/c1-12-9-15(25-19(22-12)20-11-21-25)13-5-4-8-24(10-13)18(26)17-23-14-6-2-3-7-16(14)27-17/h2-3,6-7,9,11,13H,4-5,8,10H2,1H3/t13-/m0/s1.

What are the key properties of 1,3-benzoxazol-2-yl-[(3S)-3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone?

1,3-benzoxazol-2-yl-[(3S)-3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone has a molecular weight of 362.39 g/mol, XLogP of 2.59, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1,3-benzoxazol-2-yl-[(3S)-3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 147171615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).