4-[4-(1,2-benzoxazol-3-yl)piperazin-1-yl]-1-(4-fluorophenyl)butan-1-ol

C21H24FN3O2 — CID 13232490

IUPAC4-[4-(1,2-benzoxazol-3-yl)piperazin-1-yl]-1-(4-fluorophenyl)butan-1-ol
SMILESOC(CCCN1CCN(c2noc3ccccc23)CC1)c1ccc(F)cc1
InChIInChI=1S/C21H24FN3O2/c22-17-9-7-16(8-10-17)19(26)5-3-11-24-12-14-25(15-13-24)21-18-4-1-2-6-20(18)27-23-21/h1-2,4,6-10,19,26H,3,5,11-15H2
InChIKeyBBNORVNMDRYYOB-UHFFFAOYSA-N
MW369.44 g/mol
LogP3.60
Rot. Bonds6

About 4-[4-(1,2-benzoxazol-3-yl)piperazin-1-yl]-1-(4-fluorophenyl)butan-1-ol

4-[4-(1,2-benzoxazol-3-yl)piperazin-1-yl]-1-(4-fluorophenyl)butan-1-ol (PubChem CID 13232490) has the molecular formula C21H24FN3O2 and a molecular weight of 369.44 g/mol. Its IUPAC name is 4-[4-(1,2-benzoxazol-3-yl)piperazin-1-yl]-1-(4-fluorophenyl)butan-1-ol.

Molecular Properties

Compound Name4-[4-(1,2-benzoxazol-3-yl)piperazin-1-yl]-1-(4-fluorophenyl)butan-1-ol
PubChem CID13232490
Molecular FormulaC21H24FN3O2
Molecular Weight369.44 g/mol
Exact Mass369.19
IUPAC Name4-[4-(1,2-benzoxazol-3-yl)piperazin-1-yl]-1-(4-fluorophenyl)butan-1-ol
SMILESOC(CCCN1CCN(c2noc3ccccc23)CC1)c1ccc(F)cc1
InChIInChI=1S/C21H24FN3O2/c22-17-9-7-16(8-10-17)19(26)5-3-11-24-12-14-25(15-13-24)21-18-4-1-2-6-20(18)27-23-21/h1-2,4,6-10,19,26H,3,5,11-15H2
InChIKeyBBNORVNMDRYYOB-UHFFFAOYSA-N
XLogP3.60
TPSA52.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.44
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[4-(1,2-benzoxazol-3-yl)piperazin-1-yl]-1-(4-fluorophenyl)butan-1-ol with MolForge

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

Launch Full Analysis

Related Compounds

6-(4-Benzo[d]isoxazol-3-yl-piperazin-1-yl)-1-(2-methoxy-phenyl)-hexan-1-one
CID 10069973
N-((1-benzylpiperidin-4-yl)methyl)benzo[d]isoxazol-3-amine
CID 9996198
N-(2-(1-benzylpiperidin-4-yl)ethyl)benzo[d]isoxazol-3-amine
CID 10449628
N-(2-(4-(benzo[d]isoxazol-3-yl)piperazin-1-yl)ethyl)-4-fluorobenzamide
CID 49788939
6-(4-Benzo[d]isoxazol-3-yl-piperazin-1-yl)-1-(2-hydroxy-phenyl)-hexan-1-one
CID 10430685
3-Piperazin-1-yl-benzo[d]isoxazole hydrochloride
CID 13232476
4-(4-Benzo[d]isoxazol-3-yl-piperazin-1-yl)-1-(4-fluoro-phenyl)-butan-1-one
CID 13232488
3-[2-[4-(6-Fluoro-1,2-benzoxazol-3-yl)piperazin-1-yl]ethyl]-9-hydroxy-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
CID 137659728
US11339151, Example 55
CID 163993670
3-(Piperazin-1-yl)-1,2-benzoxazole
CID 13232475
5-(4-Benzo[d]isoxazol-3-yl-piperazin-1-yl)-1-(2-hydroxy-phenyl)-pentan-1-one
CID 10904975
4-(4-Benzo[d]isoxazol-3-yl-piperazin-1-yl)-1-(2-hydroxy-phenyl)-butan-1-one
CID 10948529

Frequently Asked Questions

What is the IUPAC name of 4-[4-(1,2-benzoxazol-3-yl)piperazin-1-yl]-1-(4-fluorophenyl)butan-1-ol?
The IUPAC name of 4-[4-(1,2-benzoxazol-3-yl)piperazin-1-yl]-1-(4-fluorophenyl)butan-1-ol (CID 13232490) is 4-[4-(1,2-benzoxazol-3-yl)piperazin-1-yl]-1-(4-fluorophenyl)butan-1-ol.
What is the SMILES notation for 4-[4-(1,2-benzoxazol-3-yl)piperazin-1-yl]-1-(4-fluorophenyl)butan-1-ol?
The canonical SMILES for 4-[4-(1,2-benzoxazol-3-yl)piperazin-1-yl]-1-(4-fluorophenyl)butan-1-ol is OC(CCCN1CCN(c2noc3ccccc23)CC1)c1ccc(F)cc1.
What is the InChIKey of 4-[4-(1,2-benzoxazol-3-yl)piperazin-1-yl]-1-(4-fluorophenyl)butan-1-ol?
The InChIKey is BBNORVNMDRYYOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FN3O2/c22-17-9-7-16(8-10-17)19(26)5-3-11-24-12-14-25(15-13-24)21-18-4-1-2-6-20(18)27-23-21/h1-2,4,6-10,19,26H,3,5,11-15H2.
What are the key properties of 4-[4-(1,2-benzoxazol-3-yl)piperazin-1-yl]-1-(4-fluorophenyl)butan-1-ol?
4-[4-(1,2-benzoxazol-3-yl)piperazin-1-yl]-1-(4-fluorophenyl)butan-1-ol has a molecular weight of 369.44 g/mol, XLogP of 3.60, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(1,2-benzoxazol-3-yl)piperazin-1-yl]-1-(4-fluorophenyl)butan-1-ol is sourced from PubChem (CID 13232490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).