5-fluoro-2-(1-piperazin-1-ylethyl)-1,3-benzoxazole

C13H16FN3O — CID 64793788

IUPAC5-fluoro-2-(1-piperazin-1-ylethyl)-1,3-benzoxazole
SMILESCC(c1nc2cc(F)ccc2o1)N1CCNCC1
InChIInChI=1S/C13H16FN3O/c1-9(17-6-4-15-5-7-17)13-16-11-8-10(14)2-3-12(11)18-13/h2-3,8-9,15H,4-7H2,1H3
InChIKeyKTFJCJDSERNNMU-UHFFFAOYSA-N
MW249.29 g/mol
LogP1.93
Rot. Bonds2

About 5-fluoro-2-(1-piperazin-1-ylethyl)-1,3-benzoxazole

5-fluoro-2-(1-piperazin-1-ylethyl)-1,3-benzoxazole (PubChem CID 64793788) has the molecular formula C13H16FN3O and a molecular weight of 249.29 g/mol. Its IUPAC name is 5-fluoro-2-(1-piperazin-1-ylethyl)-1,3-benzoxazole.

Molecular Properties

Compound Name5-fluoro-2-(1-piperazin-1-ylethyl)-1,3-benzoxazole
PubChem CID64793788
Molecular FormulaC13H16FN3O
Molecular Weight249.29 g/mol
Exact Mass249.13
IUPAC Name5-fluoro-2-(1-piperazin-1-ylethyl)-1,3-benzoxazole
SMILESCC(c1nc2cc(F)ccc2o1)N1CCNCC1
InChIInChI=1S/C13H16FN3O/c1-9(17-6-4-15-5-7-17)13-16-11-8-10(14)2-3-12(11)18-13/h2-3,8-9,15H,4-7H2,1H3
InChIKeyKTFJCJDSERNNMU-UHFFFAOYSA-N
XLogP1.93
TPSA41.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.29
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-fluoro-1,3-benzoxazol-2-yl)-2-methylpropan-1-amine
CID 64793422
2-(5-fluoro-1,3-benzoxazol-2-yl)propanenitrile
CID 83859292
5-[1-(1,4-diazepan-1-yl)ethyl]-2-methyl-1,3-benzoxazole
CID 82500384
3-(3-fluorophenyl)-5-(1-piperazin-1-ylethyl)-1,2,4-oxadiazole
CID 62311650
1-[(1S)-1-(2,4-difluorophenyl)ethyl]piperazine;hydrochloride
CID 171162993
2-(5-fluoro-1,3-benzoxazol-2-yl)-3-methylbutan-1-amine
CID 65222198
2-butan-2-yl-5-piperazin-1-yl-1,3-benzoxazole
CID 82232894
1-[(1R)-1-(2-chloro-5-fluorophenyl)ethyl]piperazine;hydrochloride
CID 171169904
1-[(1S)-1-(3-fluorophenyl)ethyl]piperazine
CID 51615755
1-cyclopropyl-6-fluoro-2-(1-piperazin-1-ylethyl)benzimidazole
CID 62388618
1-[(1R)-1-(2-bromo-5-fluorophenyl)ethyl]piperazine;dihydrochloride
CID 171288485
1-[1-[4-(4-fluorophenyl)phenyl]ethyl]piperazine
CID 22760403

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-(1-piperazin-1-ylethyl)-1,3-benzoxazole?
The IUPAC name of 5-fluoro-2-(1-piperazin-1-ylethyl)-1,3-benzoxazole (CID 64793788) is 5-fluoro-2-(1-piperazin-1-ylethyl)-1,3-benzoxazole.
What is the SMILES notation for 5-fluoro-2-(1-piperazin-1-ylethyl)-1,3-benzoxazole?
The canonical SMILES for 5-fluoro-2-(1-piperazin-1-ylethyl)-1,3-benzoxazole is CC(c1nc2cc(F)ccc2o1)N1CCNCC1.
What is the InChIKey of 5-fluoro-2-(1-piperazin-1-ylethyl)-1,3-benzoxazole?
The InChIKey is KTFJCJDSERNNMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FN3O/c1-9(17-6-4-15-5-7-17)13-16-11-8-10(14)2-3-12(11)18-13/h2-3,8-9,15H,4-7H2,1H3.
What are the key properties of 5-fluoro-2-(1-piperazin-1-ylethyl)-1,3-benzoxazole?
5-fluoro-2-(1-piperazin-1-ylethyl)-1,3-benzoxazole has a molecular weight of 249.29 g/mol, XLogP of 1.93, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-(1-piperazin-1-ylethyl)-1,3-benzoxazole is sourced from PubChem (CID 64793788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).