5-phenyl-2-(4-piperidin-1-ylbutyl)-1,3-oxazole

C18H24N2O — CID 52946272

IUPAC5-phenyl-2-(4-piperidin-1-ylbutyl)-1,3-oxazole
SMILESc1ccc(-c2cnc(CCCCN3CCCCC3)o2)cc1
InChIInChI=1S/C18H24N2O/c1-3-9-16(10-4-1)17-15-19-18(21-17)11-5-8-14-20-12-6-2-7-13-20/h1,3-4,9-10,15H,2,5-8,11-14H2
InChIKeyXJINDZCEGQZNLD-UHFFFAOYSA-N
MW284.40 g/mol
LogP4.15
Rot. Bonds6

About 5-phenyl-2-(4-piperidin-1-ylbutyl)-1,3-oxazole

5-phenyl-2-(4-piperidin-1-ylbutyl)-1,3-oxazole (PubChem CID 52946272) has the molecular formula C18H24N2O and a molecular weight of 284.40 g/mol. Its IUPAC name is 5-phenyl-2-(4-piperidin-1-ylbutyl)-1,3-oxazole.

Molecular Properties

Compound Name5-phenyl-2-(4-piperidin-1-ylbutyl)-1,3-oxazole
PubChem CID52946272
Molecular FormulaC18H24N2O
Molecular Weight284.40 g/mol
Exact Mass284.19
IUPAC Name5-phenyl-2-(4-piperidin-1-ylbutyl)-1,3-oxazole
SMILESc1ccc(-c2cnc(CCCCN3CCCCC3)o2)cc1
InChIInChI=1S/C18H24N2O/c1-3-9-16(10-4-1)17-15-19-18(21-17)11-5-8-14-20-12-6-2-7-13-20/h1,3-4,9-10,15H,2,5-8,11-14H2
InChIKeyXJINDZCEGQZNLD-UHFFFAOYSA-N
XLogP4.15
TPSA29.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 5-phenyl-2-(4-piperidin-1-ylbutyl)-1,3-oxazole?
The IUPAC name of 5-phenyl-2-(4-piperidin-1-ylbutyl)-1,3-oxazole (CID 52946272) is 5-phenyl-2-(4-piperidin-1-ylbutyl)-1,3-oxazole.
What is the SMILES notation for 5-phenyl-2-(4-piperidin-1-ylbutyl)-1,3-oxazole?
The canonical SMILES for 5-phenyl-2-(4-piperidin-1-ylbutyl)-1,3-oxazole is c1ccc(-c2cnc(CCCCN3CCCCC3)o2)cc1.
What is the InChIKey of 5-phenyl-2-(4-piperidin-1-ylbutyl)-1,3-oxazole?
The InChIKey is XJINDZCEGQZNLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O/c1-3-9-16(10-4-1)17-15-19-18(21-17)11-5-8-14-20-12-6-2-7-13-20/h1,3-4,9-10,15H,2,5-8,11-14H2.
What are the key properties of 5-phenyl-2-(4-piperidin-1-ylbutyl)-1,3-oxazole?
5-phenyl-2-(4-piperidin-1-ylbutyl)-1,3-oxazole has a molecular weight of 284.40 g/mol, XLogP of 4.15, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-2-(4-piperidin-1-ylbutyl)-1,3-oxazole is sourced from PubChem (CID 52946272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).