5-fluoro-N,N-dimethyl-6-piperazin-1-yl-1,3-benzoxazol-2-amine

C13H17FN4O — CID 58834758

IUPAC5-fluoro-N,N-dimethyl-6-piperazin-1-yl-1,3-benzoxazol-2-amine
SMILESCN(C)c1nc2cc(F)c(N3CCNCC3)cc2o1
InChIInChI=1S/C13H17FN4O/c1-17(2)13-16-10-7-9(14)11(8-12(10)19-13)18-5-3-15-4-6-18/h7-8,15H,3-6H2,1-2H3
InChIKeyUQRWSCCEKBSGOU-UHFFFAOYSA-N
MW264.30 g/mol
LogP1.44
Rot. Bonds2

About 5-fluoro-N,N-dimethyl-6-piperazin-1-yl-1,3-benzoxazol-2-amine

5-fluoro-N,N-dimethyl-6-piperazin-1-yl-1,3-benzoxazol-2-amine (PubChem CID 58834758) has the molecular formula C13H17FN4O and a molecular weight of 264.30 g/mol. Its IUPAC name is 5-fluoro-N,N-dimethyl-6-piperazin-1-yl-1,3-benzoxazol-2-amine.

Molecular Properties

Compound Name5-fluoro-N,N-dimethyl-6-piperazin-1-yl-1,3-benzoxazol-2-amine
PubChem CID58834758
Molecular FormulaC13H17FN4O
Molecular Weight264.30 g/mol
Exact Mass264.14
IUPAC Name5-fluoro-N,N-dimethyl-6-piperazin-1-yl-1,3-benzoxazol-2-amine
SMILESCN(C)c1nc2cc(F)c(N3CCNCC3)cc2o1
InChIInChI=1S/C13H17FN4O/c1-17(2)13-16-10-7-9(14)11(8-12(10)19-13)18-5-3-15-4-6-18/h7-8,15H,3-6H2,1-2H3
InChIKeyUQRWSCCEKBSGOU-UHFFFAOYSA-N
XLogP1.44
TPSA44.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.30
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-fluoro-6-piperazin-1-yl-2-(2,2,2-trifluoroethoxymethyl)-1,3-benzoxazole
CID 58834768
6-chloro-5-fluoro-2-piperazin-1-yl-1,3-benzoxazole
CID 82232681
1-(5-fluoro-6-piperidin-1-yl-1,3-benzoxazol-2-yl)-N-methylmethanamine
CID 71048520
2-[4-(5-fluoro-2-methyl-1,3-benzoxazol-6-yl)piperazin-1-yl]phenol
CID 132508354
1-(2,5-difluoro-4-piperazin-1-ylphenyl)ethanol
CID 20785251
5,7-difluoro-2-piperazin-1-yl-1,3-benzoxazole
CID 82231812
1-(4,5-difluoro-2-methylphenyl)piperazine
CID 84782277
1-(5-ethyl-2-fluoro-4-methylphenyl)piperazine
CID 155722191
5,7-difluoro-2-methyl-4-piperazin-1-ylquinoline;hydrochloride
CID 121236880
1-(4-chloro-2-fluorophenyl)piperazine
CID 2783123
1-(2-fluoro-4-methylsulfinylphenyl)piperazine
CID 135346718
4-(4-fluoro-3-piperazin-1-ylphenyl)-2-methyl-1,3-oxazole
CID 20785282

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N,N-dimethyl-6-piperazin-1-yl-1,3-benzoxazol-2-amine?
The IUPAC name of 5-fluoro-N,N-dimethyl-6-piperazin-1-yl-1,3-benzoxazol-2-amine (CID 58834758) is 5-fluoro-N,N-dimethyl-6-piperazin-1-yl-1,3-benzoxazol-2-amine.
What is the SMILES notation for 5-fluoro-N,N-dimethyl-6-piperazin-1-yl-1,3-benzoxazol-2-amine?
The canonical SMILES for 5-fluoro-N,N-dimethyl-6-piperazin-1-yl-1,3-benzoxazol-2-amine is CN(C)c1nc2cc(F)c(N3CCNCC3)cc2o1.
What is the InChIKey of 5-fluoro-N,N-dimethyl-6-piperazin-1-yl-1,3-benzoxazol-2-amine?
The InChIKey is UQRWSCCEKBSGOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN4O/c1-17(2)13-16-10-7-9(14)11(8-12(10)19-13)18-5-3-15-4-6-18/h7-8,15H,3-6H2,1-2H3.
What are the key properties of 5-fluoro-N,N-dimethyl-6-piperazin-1-yl-1,3-benzoxazol-2-amine?
5-fluoro-N,N-dimethyl-6-piperazin-1-yl-1,3-benzoxazol-2-amine has a molecular weight of 264.30 g/mol, XLogP of 1.44, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N,N-dimethyl-6-piperazin-1-yl-1,3-benzoxazol-2-amine is sourced from PubChem (CID 58834758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).