(E)-1-[4-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]-3-[2-[(5-methyltetrazol-2-yl)methyl]-4-(trifluoromethyl)phenyl]prop-2-en-1-one

C23H24F3N7O2 — CID 90646578

About (E)-1-[4-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]-3-[2-[(5-methyltetrazol-2-yl)methyl]-4-(trifluoromethyl)phenyl]prop-2-en-1-one

(E)-1-[4-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]-3-[2-[(5-methyltetrazol-2-yl)methyl]-4-(trifluoromethyl)phenyl]prop-2-en-1-one (PubChem CID 90646578) has the molecular formula C23H24F3N7O2 and a molecular weight of 487.49 g/mol. Its IUPAC name is (E)-1-[4-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]-3-[2-[(5-methyltetrazol-2-yl)methyl]-4-(trifluoromethyl)phenyl]prop-2-en-1-one.

Molecular Properties

• Compound Name: (E)-1-[4-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]-3-[2-[(5-methyltetrazol-2-yl)methyl]-4-(trifluoromethyl)phenyl]prop-2-en-1-one
• PubChem CID: 90646578
• Molecular Formula: C23H24F3N7O2
• Molecular Weight: 487.49 g/mol
• Exact Mass: 487.19
• IUPAC Name: (E)-1-[4-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]-3-[2-[(5-methyltetrazol-2-yl)methyl]-4-(trifluoromethyl)phenyl]prop-2-en-1-one
• SMILES: Cc1nnn(Cc2cc(C(F)(F)F)ccc2/C=C/C(=O)N2CCC(c3nnc(C4CC4)o3)CC2)n1
• InChI: InChI=1S/C23H24F3N7O2/c1-14-27-31-33(30-14)13-18-12-19(23(24,25)26)6-4-15(18)5-7-20(34)32-10-8-17(9-11-32)22-29-28-21(35-22)16-2-3-16/h4-7,12,16-17H,2-3,8-11,13H2,1H3/b7-5+
• InChIKey: ZUSDCRXHVDXFED-FNORWQNLSA-N
• XLogP: 3.73
• TPSA: 102.83 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	487.49
LogP ≤ 5	3.73
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (E)-1-[4-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]-3-[2-[(5-methyltetrazol-2-yl)methyl]-4-(trifluoromethyl)phenyl]prop-2-en-1-one?

The IUPAC name of (E)-1-[4-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]-3-[2-[(5-methyltetrazol-2-yl)methyl]-4-(trifluoromethyl)phenyl]prop-2-en-1-one (CID 90646578) is (E)-1-[4-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]-3-[2-[(5-methyltetrazol-2-yl)methyl]-4-(trifluoromethyl)phenyl]prop-2-en-1-one.

What is the SMILES notation for (E)-1-[4-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]-3-[2-[(5-methyltetrazol-2-yl)methyl]-4-(trifluoromethyl)phenyl]prop-2-en-1-one?

The canonical SMILES for (E)-1-[4-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]-3-[2-[(5-methyltetrazol-2-yl)methyl]-4-(trifluoromethyl)phenyl]prop-2-en-1-one is Cc1nnn(Cc2cc(C(F)(F)F)ccc2/C=C/C(=O)N2CCC(c3nnc(C4CC4)o3)CC2)n1.

What is the InChIKey of (E)-1-[4-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]-3-[2-[(5-methyltetrazol-2-yl)methyl]-4-(trifluoromethyl)phenyl]prop-2-en-1-one?

The InChIKey is ZUSDCRXHVDXFED-FNORWQNLSA-N. The full InChI is InChI=1S/C23H24F3N7O2/c1-14-27-31-33(30-14)13-18-12-19(23(24,25)26)6-4-15(18)5-7-20(34)32-10-8-17(9-11-32)22-29-28-21(35-22)16-2-3-16/h4-7,12,16-17H,2-3,8-11,13H2,1H3/b7-5+.

What are the key properties of (E)-1-[4-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]-3-[2-[(5-methyltetrazol-2-yl)methyl]-4-(trifluoromethyl)phenyl]prop-2-en-1-one?

(E)-1-[4-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]-3-[2-[(5-methyltetrazol-2-yl)methyl]-4-(trifluoromethyl)phenyl]prop-2-en-1-one has a molecular weight of 487.49 g/mol, XLogP of 3.73, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (E)-1-[4-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]-3-[2-[(5-methyltetrazol-2-yl)methyl]-4-(trifluoromethyl)phenyl]prop-2-en-1-one is sourced from PubChem (CID 90646578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).