7-fluoro-3-piperazin-1-yl-1,2-benzoxazole

C11H12FN3O — CID 83849661

IUPAC7-fluoro-3-piperazin-1-yl-1,2-benzoxazole
SMILESFc1cccc2c(N3CCNCC3)noc12
InChIInChI=1S/C11H12FN3O/c12-9-3-1-2-8-10(9)16-14-11(8)15-6-4-13-5-7-15/h1-3,13H,4-7H2
InChIKeyJDLFSXVBOJHXHI-UHFFFAOYSA-N
MW221.23 g/mol
LogP1.38
Rot. Bonds1

About 7-fluoro-3-piperazin-1-yl-1,2-benzoxazole

7-fluoro-3-piperazin-1-yl-1,2-benzoxazole (PubChem CID 83849661) has the molecular formula C11H12FN3O and a molecular weight of 221.23 g/mol. Its IUPAC name is 7-fluoro-3-piperazin-1-yl-1,2-benzoxazole.

Molecular Properties

Compound Name7-fluoro-3-piperazin-1-yl-1,2-benzoxazole
PubChem CID83849661
Molecular FormulaC11H12FN3O
Molecular Weight221.23 g/mol
Exact Mass221.10
IUPAC Name7-fluoro-3-piperazin-1-yl-1,2-benzoxazole
SMILESFc1cccc2c(N3CCNCC3)noc12
InChIInChI=1S/C11H12FN3O/c12-9-3-1-2-8-10(9)16-14-11(8)15-6-4-13-5-7-15/h1-3,13H,4-7H2
InChIKeyJDLFSXVBOJHXHI-UHFFFAOYSA-N
XLogP1.38
TPSA41.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.23
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-fluoro-3-piperazin-1-yl-1,2-benzoxazole
CID 19805377
3-chloro-7-fluoro-1,2-benzoxazole
CID 70700314
2-[2-(2,6-difluorophenoxy)ethoxy]-3-piperazin-1-ylpyrazine
CID 22036368
3-bromo-8-fluoro-4-piperazin-1-ylquinoline
CID 121236387
8-fluoro-2-methyl-4-piperazin-1-ylquinoline
CID 39732499
9-oxa-1,17,20,25-tetrazapentacyclo[15.5.5.03,8.07,11.010,15]heptacosa-3(8),4,6,10(15),11,13-hexaene
CID 102158053
7-methyl-4-piperazin-1-ylfuro[3,2-c]pyridine
CID 67125813
4-(2,6-difluorophenyl)-2-piperazin-1-ylpyrimidine
CID 68575451
8-fluoro-6-piperazin-1-ylthiochromeno[2,3-c]quinolin-12-one
CID 163325141
1-piperazin-1-ylisoquinolin-5-amine
CID 82570237
8-fluoro-4-piperazin-1-yl-2-(trifluoromethyl)quinoline
CID 2774821
7-chloro-3-piperazin-1-yl-1,2-benzothiazole
CID 71314807

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-3-piperazin-1-yl-1,2-benzoxazole?
The IUPAC name of 7-fluoro-3-piperazin-1-yl-1,2-benzoxazole (CID 83849661) is 7-fluoro-3-piperazin-1-yl-1,2-benzoxazole.
What is the SMILES notation for 7-fluoro-3-piperazin-1-yl-1,2-benzoxazole?
The canonical SMILES for 7-fluoro-3-piperazin-1-yl-1,2-benzoxazole is Fc1cccc2c(N3CCNCC3)noc12.
What is the InChIKey of 7-fluoro-3-piperazin-1-yl-1,2-benzoxazole?
The InChIKey is JDLFSXVBOJHXHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FN3O/c12-9-3-1-2-8-10(9)16-14-11(8)15-6-4-13-5-7-15/h1-3,13H,4-7H2.
What are the key properties of 7-fluoro-3-piperazin-1-yl-1,2-benzoxazole?
7-fluoro-3-piperazin-1-yl-1,2-benzoxazole has a molecular weight of 221.23 g/mol, XLogP of 1.38, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-3-piperazin-1-yl-1,2-benzoxazole is sourced from PubChem (CID 83849661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).