1-[3-(5-ethyl-1,3,4-oxadiazol-2-yl)phenyl]-3-[3-[3-[(4-fluorophenyl)methyl]piperidin-1-yl]propyl]urea

C26H32FN5O2 — CID 22393365

IUPAC1-[3-(5-ethyl-1,3,4-oxadiazol-2-yl)phenyl]-3-[3-[3-[(4-fluorophenyl)methyl]piperidin-1-yl]propyl]urea
SMILESCCc1nnc(-c2cccc(NC(=O)NCCCN3CCCC(Cc4ccc(F)cc4)C3)c2)o1
InChIInChI=1S/C26H32FN5O2/c1-2-24-30-31-25(34-24)21-7-3-8-23(17-21)29-26(33)28-13-5-15-32-14-4-6-20(18-32)16-19-9-11-22(27)12-10-19/h3,7-12,17,20H,2,4-6,13-16,18H2,1H3,(H2,28,29,33)
InChIKeyBZJIQDLXYKASAC-UHFFFAOYSA-N
MW465.57 g/mol
LogP4.90
Rot. Bonds9

About 1-[3-(5-ethyl-1,3,4-oxadiazol-2-yl)phenyl]-3-[3-[3-[(4-fluorophenyl)methyl]piperidin-1-yl]propyl]urea

1-[3-(5-ethyl-1,3,4-oxadiazol-2-yl)phenyl]-3-[3-[3-[(4-fluorophenyl)methyl]piperidin-1-yl]propyl]urea (PubChem CID 22393365) has the molecular formula C26H32FN5O2 and a molecular weight of 465.57 g/mol. Its IUPAC name is 1-[3-(5-ethyl-1,3,4-oxadiazol-2-yl)phenyl]-3-[3-[3-[(4-fluorophenyl)methyl]piperidin-1-yl]propyl]urea.

Molecular Properties

Compound Name1-[3-(5-ethyl-1,3,4-oxadiazol-2-yl)phenyl]-3-[3-[3-[(4-fluorophenyl)methyl]piperidin-1-yl]propyl]urea
PubChem CID22393365
Molecular FormulaC26H32FN5O2
Molecular Weight465.57 g/mol
Exact Mass465.25
IUPAC Name1-[3-(5-ethyl-1,3,4-oxadiazol-2-yl)phenyl]-3-[3-[3-[(4-fluorophenyl)methyl]piperidin-1-yl]propyl]urea
SMILESCCc1nnc(-c2cccc(NC(=O)NCCCN3CCCC(Cc4ccc(F)cc4)C3)c2)o1
InChIInChI=1S/C26H32FN5O2/c1-2-24-30-31-25(34-24)21-7-3-8-23(17-21)29-26(33)28-13-5-15-32-14-4-6-20(18-32)16-19-9-11-22(27)12-10-19/h3,7-12,17,20H,2,4-6,13-16,18H2,1H3,(H2,28,29,33)
InChIKeyBZJIQDLXYKASAC-UHFFFAOYSA-N
XLogP4.90
TPSA83.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.57
LogP ≤ 54.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(5-ethyl-1,3,4-oxadiazol-2-yl)phenyl]-3-[3-[3-[(4-fluorophenyl)methyl]piperidin-1-yl]propyl]urea?
The IUPAC name of 1-[3-(5-ethyl-1,3,4-oxadiazol-2-yl)phenyl]-3-[3-[3-[(4-fluorophenyl)methyl]piperidin-1-yl]propyl]urea (CID 22393365) is 1-[3-(5-ethyl-1,3,4-oxadiazol-2-yl)phenyl]-3-[3-[3-[(4-fluorophenyl)methyl]piperidin-1-yl]propyl]urea.
What is the SMILES notation for 1-[3-(5-ethyl-1,3,4-oxadiazol-2-yl)phenyl]-3-[3-[3-[(4-fluorophenyl)methyl]piperidin-1-yl]propyl]urea?
The canonical SMILES for 1-[3-(5-ethyl-1,3,4-oxadiazol-2-yl)phenyl]-3-[3-[3-[(4-fluorophenyl)methyl]piperidin-1-yl]propyl]urea is CCc1nnc(-c2cccc(NC(=O)NCCCN3CCCC(Cc4ccc(F)cc4)C3)c2)o1.
What is the InChIKey of 1-[3-(5-ethyl-1,3,4-oxadiazol-2-yl)phenyl]-3-[3-[3-[(4-fluorophenyl)methyl]piperidin-1-yl]propyl]urea?
The InChIKey is BZJIQDLXYKASAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32FN5O2/c1-2-24-30-31-25(34-24)21-7-3-8-23(17-21)29-26(33)28-13-5-15-32-14-4-6-20(18-32)16-19-9-11-22(27)12-10-19/h3,7-12,17,20H,2,4-6,13-16,18H2,1H3,(H2,28,29,33).
What are the key properties of 1-[3-(5-ethyl-1,3,4-oxadiazol-2-yl)phenyl]-3-[3-[3-[(4-fluorophenyl)methyl]piperidin-1-yl]propyl]urea?
1-[3-(5-ethyl-1,3,4-oxadiazol-2-yl)phenyl]-3-[3-[3-[(4-fluorophenyl)methyl]piperidin-1-yl]propyl]urea has a molecular weight of 465.57 g/mol, XLogP of 4.90, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(5-ethyl-1,3,4-oxadiazol-2-yl)phenyl]-3-[3-[3-[(4-fluorophenyl)methyl]piperidin-1-yl]propyl]urea is sourced from PubChem (CID 22393365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).