1-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]-3-methyl-2-(tetrazol-1-yl)pentan-1-one

C19H23FN6O2 — CID 155486410

About 1-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]-3-methyl-2-(tetrazol-1-yl)pentan-1-one

1-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]-3-methyl-2-(tetrazol-1-yl)pentan-1-one (PubChem CID 155486410) has the molecular formula C19H23FN6O2 and a molecular weight of 386.43 g/mol. Its IUPAC name is 1-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]-3-methyl-2-(tetrazol-1-yl)pentan-1-one.

Molecular Properties

• Compound Name: 1-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]-3-methyl-2-(tetrazol-1-yl)pentan-1-one
• PubChem CID: 155486410
• Molecular Formula: C19H23FN6O2
• Molecular Weight: 386.43 g/mol
• Exact Mass: 386.19
• IUPAC Name: 1-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]-3-methyl-2-(tetrazol-1-yl)pentan-1-one
• SMILES: CCC(C)C(C(=O)N1CCC(c2noc3cc(F)ccc23)CC1)n1cnnn1
• InChI: InChI=1S/C19H23FN6O2/c1-3-12(2)18(26-11-21-23-24-26)19(27)25-8-6-13(7-9-25)17-15-5-4-14(20)10-16(15)28-22-17/h4-5,10-13,18H,3,6-9H2,1-2H3
• InChIKey: RSYJGTRUMYZKGJ-UHFFFAOYSA-N
• XLogP: 2.95
• TPSA: 89.94 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	386.43
LogP ≤ 5	2.95
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 1-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]-3-methyl-2-(tetrazol-1-yl)pentan-1-one?

The IUPAC name of 1-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]-3-methyl-2-(tetrazol-1-yl)pentan-1-one (CID 155486410) is 1-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]-3-methyl-2-(tetrazol-1-yl)pentan-1-one.

What is the SMILES notation for 1-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]-3-methyl-2-(tetrazol-1-yl)pentan-1-one?

The canonical SMILES for 1-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]-3-methyl-2-(tetrazol-1-yl)pentan-1-one is CCC(C)C(C(=O)N1CCC(c2noc3cc(F)ccc23)CC1)n1cnnn1.

What is the InChIKey of 1-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]-3-methyl-2-(tetrazol-1-yl)pentan-1-one?

The InChIKey is RSYJGTRUMYZKGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN6O2/c1-3-12(2)18(26-11-21-23-24-26)19(27)25-8-6-13(7-9-25)17-15-5-4-14(20)10-16(15)28-22-17/h4-5,10-13,18H,3,6-9H2,1-2H3.

What are the key properties of 1-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]-3-methyl-2-(tetrazol-1-yl)pentan-1-one?

1-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]-3-methyl-2-(tetrazol-1-yl)pentan-1-one has a molecular weight of 386.43 g/mol, XLogP of 2.95, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]-3-methyl-2-(tetrazol-1-yl)pentan-1-one is sourced from PubChem (CID 155486410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).