2-[4-[(2,6-difluorophenyl)methyl]piperazin-1-yl]-1,3-benzoxazole

C18H17F2N3O — CID 126770624

IUPAC2-[4-[(2,6-difluorophenyl)methyl]piperazin-1-yl]-1,3-benzoxazole
SMILESFc1cccc(F)c1CN1CCN(c2nc3ccccc3o2)CC1
InChIInChI=1S/C18H17F2N3O/c19-14-4-3-5-15(20)13(14)12-22-8-10-23(11-9-22)18-21-16-6-1-2-7-17(16)24-18/h1-7H,8-12H2
InChIKeyJMOSJILRMNYLGO-UHFFFAOYSA-N
MW329.35 g/mol
LogP3.43
Rot. Bonds3

About 2-[4-[(2,6-difluorophenyl)methyl]piperazin-1-yl]-1,3-benzoxazole

2-[4-[(2,6-difluorophenyl)methyl]piperazin-1-yl]-1,3-benzoxazole (PubChem CID 126770624) has the molecular formula C18H17F2N3O and a molecular weight of 329.35 g/mol. Its IUPAC name is 2-[4-[(2,6-difluorophenyl)methyl]piperazin-1-yl]-1,3-benzoxazole.

Molecular Properties

Compound Name2-[4-[(2,6-difluorophenyl)methyl]piperazin-1-yl]-1,3-benzoxazole
PubChem CID126770624
Molecular FormulaC18H17F2N3O
Molecular Weight329.35 g/mol
Exact Mass329.13
IUPAC Name2-[4-[(2,6-difluorophenyl)methyl]piperazin-1-yl]-1,3-benzoxazole
SMILESFc1cccc(F)c1CN1CCN(c2nc3ccccc3o2)CC1
InChIInChI=1S/C18H17F2N3O/c19-14-4-3-5-15(20)13(14)12-22-8-10-23(11-9-22)18-21-16-6-1-2-7-17(16)24-18/h1-7H,8-12H2
InChIKeyJMOSJILRMNYLGO-UHFFFAOYSA-N
XLogP3.43
TPSA32.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.35
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[4-[(2,6-difluorophenyl)methyl]piperazin-1-yl]-1,3-benzoxazole 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

N-[2-[4-(1,3-benzoxazol-2-yl)piperazin-1-yl]ethyl]-2-fluorobenzamide
CID 133293554
2-(4-propylpiperazin-1-yl)-1,3-benzoxazole
CID 11395660
2-[4-(1,3-benzoxazol-2-yl)-1,4-diazepan-1-yl]-1,3-benzoxazole
CID 14792326
2-[4-(1,3-benzoxazol-2-yl)piperazin-1-yl]ethanethioamide
CID 63337071
2-[4-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]piperazin-1-yl]-1,3-benzoxazole
CID 131923933
2-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-1,3-benzoxazole
CID 24632141
2-[4-(2-phenoxyethyl)piperazin-1-yl]-1,3-benzoxazole
CID 146080024
2-(4-benzhydrylpiperazin-1-yl)-1,3-benzoxazole
CID 24632071
2-(4-pyridin-4-ylpiperazin-1-yl)-1,3-benzoxazole
CID 36581573
2-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-1,3-benzoxazole
CID 163352202
2-(4-pyridin-2-ylpiperazin-1-yl)-1,3-benzoxazole
CID 24805905
2-[4-[2-(5-fluorobenzimidazol-1-yl)ethyl]piperazin-1-yl]-1,3-benzoxazole
CID 126858331

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2,6-difluorophenyl)methyl]piperazin-1-yl]-1,3-benzoxazole?
The IUPAC name of 2-[4-[(2,6-difluorophenyl)methyl]piperazin-1-yl]-1,3-benzoxazole (CID 126770624) is 2-[4-[(2,6-difluorophenyl)methyl]piperazin-1-yl]-1,3-benzoxazole.
What is the SMILES notation for 2-[4-[(2,6-difluorophenyl)methyl]piperazin-1-yl]-1,3-benzoxazole?
The canonical SMILES for 2-[4-[(2,6-difluorophenyl)methyl]piperazin-1-yl]-1,3-benzoxazole is Fc1cccc(F)c1CN1CCN(c2nc3ccccc3o2)CC1.
What is the InChIKey of 2-[4-[(2,6-difluorophenyl)methyl]piperazin-1-yl]-1,3-benzoxazole?
The InChIKey is JMOSJILRMNYLGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F2N3O/c19-14-4-3-5-15(20)13(14)12-22-8-10-23(11-9-22)18-21-16-6-1-2-7-17(16)24-18/h1-7H,8-12H2.
What are the key properties of 2-[4-[(2,6-difluorophenyl)methyl]piperazin-1-yl]-1,3-benzoxazole?
2-[4-[(2,6-difluorophenyl)methyl]piperazin-1-yl]-1,3-benzoxazole has a molecular weight of 329.35 g/mol, XLogP of 3.43, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2,6-difluorophenyl)methyl]piperazin-1-yl]-1,3-benzoxazole is sourced from PubChem (CID 126770624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).