6-fluoro-2-[4-(4-fluorophenyl)piperazin-1-yl]-1,3-benzoxazole

C17H15F2N3O — CID 163357218

IUPAC6-fluoro-2-[4-(4-fluorophenyl)piperazin-1-yl]-1,3-benzoxazole
SMILESFc1ccc(N2CCN(c3nc4ccc(F)cc4o3)CC2)cc1
InChIInChI=1S/C17H15F2N3O/c18-12-1-4-14(5-2-12)21-7-9-22(10-8-21)17-20-15-6-3-13(19)11-16(15)23-17/h1-6,11H,7-10H2
InChIKeyROOAEKJGTDTJJX-UHFFFAOYSA-N
MW315.32 g/mol
LogP3.43
Rot. Bonds2

About 6-fluoro-2-[4-(4-fluorophenyl)piperazin-1-yl]-1,3-benzoxazole

6-fluoro-2-[4-(4-fluorophenyl)piperazin-1-yl]-1,3-benzoxazole (PubChem CID 163357218) has the molecular formula C17H15F2N3O and a molecular weight of 315.32 g/mol. Its IUPAC name is 6-fluoro-2-[4-(4-fluorophenyl)piperazin-1-yl]-1,3-benzoxazole.

Molecular Properties

Compound Name6-fluoro-2-[4-(4-fluorophenyl)piperazin-1-yl]-1,3-benzoxazole
PubChem CID163357218
Molecular FormulaC17H15F2N3O
Molecular Weight315.32 g/mol
Exact Mass315.12
IUPAC Name6-fluoro-2-[4-(4-fluorophenyl)piperazin-1-yl]-1,3-benzoxazole
SMILESFc1ccc(N2CCN(c3nc4ccc(F)cc4o3)CC2)cc1
InChIInChI=1S/C17H15F2N3O/c18-12-1-4-14(5-2-12)21-7-9-22(10-8-21)17-20-15-6-3-13(19)11-16(15)23-17/h1-6,11H,7-10H2
InChIKeyROOAEKJGTDTJJX-UHFFFAOYSA-N
XLogP3.43
TPSA32.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.32
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-fluoro-2-(4-methylpiperazin-1-yl)-1,3-benzoxazole
CID 175649082
6-fluoro-2-(4-methylidenepiperidin-1-yl)-1,3-benzoxazole
CID 172901646
6-fluoro-2-[4-methoxy-4-(trifluoromethyl)piperidin-1-yl]-1,3-benzoxazole
CID 171995742
6-fluoro-2-[3-methoxy-3-(trifluoromethyl)azetidin-1-yl]-1,3-benzoxazole
CID 171996704
2-[4-(2,3-dimethylimidazo[1,2-b]pyridazin-6-yl)piperazin-1-yl]-6-fluoro-1,3-benzoxazole
CID 163348839
6-fluoro-2-[4-(9-methylpurin-6-yl)piperazin-1-yl]-1,3-benzoxazole
CID 154853693
2-[1-(6-fluoro-1,3-benzoxazol-2-yl)piperidin-4-yl]-1-morpholin-4-ylethanone
CID 172901359
2-[3-(4-bromopyrazol-1-yl)pyrrolidin-1-yl]-6-fluoro-1,3-benzoxazole
CID 126947125
2-morpholin-4-yl-1,3-benzoxazol-6-ol
CID 146454135
6-(7-fluoro-5-methyl-3,4,4a,9b-tetrahydro-1H-pyrido[4,3-b]indol-2-yl)-2-morpholin-4-yl-1,3-benzoxazole
CID 177148876
2-(4-pyridin-4-ylpiperazin-1-yl)-1,3-benzoxazole
CID 36581573
2-[4-(4-methoxyphenyl)piperazin-1-yl]-1,3-benzoxazole
CID 51179578

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-2-[4-(4-fluorophenyl)piperazin-1-yl]-1,3-benzoxazole?
The IUPAC name of 6-fluoro-2-[4-(4-fluorophenyl)piperazin-1-yl]-1,3-benzoxazole (CID 163357218) is 6-fluoro-2-[4-(4-fluorophenyl)piperazin-1-yl]-1,3-benzoxazole.
What is the SMILES notation for 6-fluoro-2-[4-(4-fluorophenyl)piperazin-1-yl]-1,3-benzoxazole?
The canonical SMILES for 6-fluoro-2-[4-(4-fluorophenyl)piperazin-1-yl]-1,3-benzoxazole is Fc1ccc(N2CCN(c3nc4ccc(F)cc4o3)CC2)cc1.
What is the InChIKey of 6-fluoro-2-[4-(4-fluorophenyl)piperazin-1-yl]-1,3-benzoxazole?
The InChIKey is ROOAEKJGTDTJJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F2N3O/c18-12-1-4-14(5-2-12)21-7-9-22(10-8-21)17-20-15-6-3-13(19)11-16(15)23-17/h1-6,11H,7-10H2.
What are the key properties of 6-fluoro-2-[4-(4-fluorophenyl)piperazin-1-yl]-1,3-benzoxazole?
6-fluoro-2-[4-(4-fluorophenyl)piperazin-1-yl]-1,3-benzoxazole has a molecular weight of 315.32 g/mol, XLogP of 3.43, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-2-[4-(4-fluorophenyl)piperazin-1-yl]-1,3-benzoxazole is sourced from PubChem (CID 163357218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).