2-fluoro-N-(3-hydroxypropyl)-4-[3-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]propoxy]benzamide

C23H33FN4O4 — CID 71080761

IUPAC2-fluoro-N-(3-hydroxypropyl)-4-[3-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]propoxy]benzamide
SMILESCC(C)c1noc(N2CCC(CCCOc3ccc(C(=O)NCCCO)c(F)c3)CC2)n1
InChIInChI=1S/C23H33FN4O4/c1-16(2)21-26-23(32-27-21)28-11-8-17(9-12-28)5-3-14-31-18-6-7-19(20(24)15-18)22(30)25-10-4-13-29/h6-7,15-17,29H,3-5,8-14H2,1-2H3,(H,25,30)
InChIKeyQVUQGGHXLAGUHE-UHFFFAOYSA-N
MW448.54 g/mol
LogP3.52
Rot. Bonds11

About 2-fluoro-N-(3-hydroxypropyl)-4-[3-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]propoxy]benzamide

2-fluoro-N-(3-hydroxypropyl)-4-[3-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]propoxy]benzamide (PubChem CID 71080761) has the molecular formula C23H33FN4O4 and a molecular weight of 448.54 g/mol. Its IUPAC name is 2-fluoro-N-(3-hydroxypropyl)-4-[3-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]propoxy]benzamide.

Molecular Properties

Compound Name2-fluoro-N-(3-hydroxypropyl)-4-[3-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]propoxy]benzamide
PubChem CID71080761
Molecular FormulaC23H33FN4O4
Molecular Weight448.54 g/mol
Exact Mass448.25
IUPAC Name2-fluoro-N-(3-hydroxypropyl)-4-[3-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]propoxy]benzamide
SMILESCC(C)c1noc(N2CCC(CCCOc3ccc(C(=O)NCCCO)c(F)c3)CC2)n1
InChIInChI=1S/C23H33FN4O4/c1-16(2)21-26-23(32-27-21)28-11-8-17(9-12-28)5-3-14-31-18-6-7-19(20(24)15-18)22(30)25-10-4-13-29/h6-7,15-17,29H,3-5,8-14H2,1-2H3,(H,25,30)
InChIKeyQVUQGGHXLAGUHE-UHFFFAOYSA-N
XLogP3.52
TPSA100.72 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.54
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 2-fluoro-N-(3-hydroxypropyl)-4-[3-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]propoxy]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-(3-hydroxypropyl)-4-[3-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]propoxy]benzamide?
The IUPAC name of 2-fluoro-N-(3-hydroxypropyl)-4-[3-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]propoxy]benzamide (CID 71080761) is 2-fluoro-N-(3-hydroxypropyl)-4-[3-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]propoxy]benzamide.
What is the SMILES notation for 2-fluoro-N-(3-hydroxypropyl)-4-[3-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]propoxy]benzamide?
The canonical SMILES for 2-fluoro-N-(3-hydroxypropyl)-4-[3-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]propoxy]benzamide is CC(C)c1noc(N2CCC(CCCOc3ccc(C(=O)NCCCO)c(F)c3)CC2)n1.
What is the InChIKey of 2-fluoro-N-(3-hydroxypropyl)-4-[3-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]propoxy]benzamide?
The InChIKey is QVUQGGHXLAGUHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33FN4O4/c1-16(2)21-26-23(32-27-21)28-11-8-17(9-12-28)5-3-14-31-18-6-7-19(20(24)15-18)22(30)25-10-4-13-29/h6-7,15-17,29H,3-5,8-14H2,1-2H3,(H,25,30).
What are the key properties of 2-fluoro-N-(3-hydroxypropyl)-4-[3-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]propoxy]benzamide?
2-fluoro-N-(3-hydroxypropyl)-4-[3-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]propoxy]benzamide has a molecular weight of 448.54 g/mol, XLogP of 3.52, 11 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-(3-hydroxypropyl)-4-[3-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]propoxy]benzamide is sourced from PubChem (CID 71080761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).