6-fluoro-2-(4-methylpiperazin-1-yl)-1,3-benzoxazole

C12H14FN3O — CID 175649082

IUPAC6-fluoro-2-(4-methylpiperazin-1-yl)-1,3-benzoxazole
SMILESCN1CCN(c2nc3ccc(F)cc3o2)CC1
InChIInChI=1S/C12H14FN3O/c1-15-4-6-16(7-5-15)12-14-10-3-2-9(13)8-11(10)17-12/h2-3,8H,4-7H2,1H3
InChIKeyASLKZFKNLHCHCS-UHFFFAOYSA-N
MW235.26 g/mol
LogP1.72
Rot. Bonds1

About 6-fluoro-2-(4-methylpiperazin-1-yl)-1,3-benzoxazole

6-fluoro-2-(4-methylpiperazin-1-yl)-1,3-benzoxazole (PubChem CID 175649082) has the molecular formula C12H14FN3O and a molecular weight of 235.26 g/mol. Its IUPAC name is 6-fluoro-2-(4-methylpiperazin-1-yl)-1,3-benzoxazole.

Molecular Properties

Compound Name6-fluoro-2-(4-methylpiperazin-1-yl)-1,3-benzoxazole
PubChem CID175649082
Molecular FormulaC12H14FN3O
Molecular Weight235.26 g/mol
Exact Mass235.11
IUPAC Name6-fluoro-2-(4-methylpiperazin-1-yl)-1,3-benzoxazole
SMILESCN1CCN(c2nc3ccc(F)cc3o2)CC1
InChIInChI=1S/C12H14FN3O/c1-15-4-6-16(7-5-15)12-14-10-3-2-9(13)8-11(10)17-12/h2-3,8H,4-7H2,1H3
InChIKeyASLKZFKNLHCHCS-UHFFFAOYSA-N
XLogP1.72
TPSA32.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.26
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-fluoro-2-[4-(4-fluorophenyl)piperazin-1-yl]-1,3-benzoxazole
CID 163357218
6-fluoro-2-(4-methylidenepiperidin-1-yl)-1,3-benzoxazole
CID 172901646
6-fluoro-2-[4-(9-methylpurin-6-yl)piperazin-1-yl]-1,3-benzoxazole
CID 154853693
6-fluoro-2-[4-methoxy-4-(trifluoromethyl)piperidin-1-yl]-1,3-benzoxazole
CID 171995742
2-[4-(2,3-dimethylimidazo[1,2-b]pyridazin-6-yl)piperazin-1-yl]-6-fluoro-1,3-benzoxazole
CID 163348839
(6-fluoro-1,3-benzoxazol-2-yl)-(4-methylpiperazin-1-yl)methanone
CID 10038393
6-fluoro-2-[3-methoxy-3-(trifluoromethyl)azetidin-1-yl]-1,3-benzoxazole
CID 171996704
6-fluoro-2-[4-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]-1,3-benzoxazole
CID 126910409
2-[3-(4-bromopyrazol-1-yl)pyrrolidin-1-yl]-6-fluoro-1,3-benzoxazole
CID 126947125
3-[2-(4-methylpiperazin-1-yl)-1,3-benzoxazol-6-yl]-4,5-dihydro-1H-pyridazin-6-one
CID 67466102
2-[4-(5-fluoro-1,3-benzoxazol-2-yl)piperazin-1-yl]propan-1-amine
CID 82167712
2-[1-(6-fluoro-1,3-benzoxazol-2-yl)piperidin-4-yl]-1-morpholin-4-ylethanone
CID 172901359

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-2-(4-methylpiperazin-1-yl)-1,3-benzoxazole?
The IUPAC name of 6-fluoro-2-(4-methylpiperazin-1-yl)-1,3-benzoxazole (CID 175649082) is 6-fluoro-2-(4-methylpiperazin-1-yl)-1,3-benzoxazole.
What is the SMILES notation for 6-fluoro-2-(4-methylpiperazin-1-yl)-1,3-benzoxazole?
The canonical SMILES for 6-fluoro-2-(4-methylpiperazin-1-yl)-1,3-benzoxazole is CN1CCN(c2nc3ccc(F)cc3o2)CC1.
What is the InChIKey of 6-fluoro-2-(4-methylpiperazin-1-yl)-1,3-benzoxazole?
The InChIKey is ASLKZFKNLHCHCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN3O/c1-15-4-6-16(7-5-15)12-14-10-3-2-9(13)8-11(10)17-12/h2-3,8H,4-7H2,1H3.
What are the key properties of 6-fluoro-2-(4-methylpiperazin-1-yl)-1,3-benzoxazole?
6-fluoro-2-(4-methylpiperazin-1-yl)-1,3-benzoxazole has a molecular weight of 235.26 g/mol, XLogP of 1.72, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-2-(4-methylpiperazin-1-yl)-1,3-benzoxazole is sourced from PubChem (CID 175649082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).