5-[2-(3-fluorophenyl)piperazin-1-yl]sulfonyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine;hydrochloride

C17H18ClFN4O3S — CID 120764952

IUPAC5-[2-(3-fluorophenyl)piperazin-1-yl]sulfonyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine;hydrochloride
SMILESCc1noc2ncc(S(=O)(=O)N3CCNCC3c3cccc(F)c3)cc12.Cl
InChIInChI=1S/C17H17FN4O3S.ClH/c1-11-15-8-14(9-20-17(15)25-21-11)26(23,24)22-6-5-19-10-16(22)12-3-2-4-13(18)7-12;/h2-4,7-9,16,19H,5-6,10H2,1H3;1H
InChIKeyGLXQNLQWIRQKLW-UHFFFAOYSA-N
MW412.87 g/mol
LogP2.43
Rot. Bonds3

About 5-[2-(3-fluorophenyl)piperazin-1-yl]sulfonyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine;hydrochloride

5-[2-(3-fluorophenyl)piperazin-1-yl]sulfonyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine;hydrochloride (PubChem CID 120764952) has the molecular formula C17H18ClFN4O3S and a molecular weight of 412.87 g/mol. Its IUPAC name is 5-[2-(3-fluorophenyl)piperazin-1-yl]sulfonyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine;hydrochloride.

Molecular Properties

Compound Name5-[2-(3-fluorophenyl)piperazin-1-yl]sulfonyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine;hydrochloride
PubChem CID120764952
Molecular FormulaC17H18ClFN4O3S
Molecular Weight412.87 g/mol
Exact Mass412.08
IUPAC Name5-[2-(3-fluorophenyl)piperazin-1-yl]sulfonyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine;hydrochloride
SMILESCc1noc2ncc(S(=O)(=O)N3CCNCC3c3cccc(F)c3)cc12.Cl
InChIInChI=1S/C17H17FN4O3S.ClH/c1-11-15-8-14(9-20-17(15)25-21-11)26(23,24)22-6-5-19-10-16(22)12-3-2-4-13(18)7-12;/h2-4,7-9,16,19H,5-6,10H2,1H3;1H
InChIKeyGLXQNLQWIRQKLW-UHFFFAOYSA-N
XLogP2.43
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.87
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-[2-(3-fluorophenyl)piperazin-1-yl]sulfonyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine;hydrochloride with MolForge

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Related Compounds

3-methyl-5-(2-methylpiperazin-1-yl)sulfonyl-[1,2]oxazolo[5,4-b]pyridine
CID 119969885
2-[2-(3-fluorophenyl)piperazin-1-yl]sulfonyl-4,5-dimethyl-1,3-thiazole;hydrochloride
CID 120764447
4-[2-(3-fluorophenyl)piperazin-1-yl]sulfonyl-N,N-dimethylaniline;hydrochloride
CID 120764419
1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-2-(3-fluorophenyl)piperazine
CID 120764645
N-[4-[2-(3-fluorophenyl)piperazin-1-yl]sulfonylphenyl]acetamide;hydrochloride
CID 120764702
2-(3-fluorophenyl)-1-(3-methyl-4-nitrophenyl)sulfonylpiperazine
CID 120764749
1-(3-fluorophenyl)sulfonyl-2-pyridin-3-ylpiperazine
CID 120763589
1-(3-fluoro-4-methoxyphenyl)sulfonyl-2-(3-fluorophenyl)piperazine
CID 120764715
2-(3-fluorophenyl)-1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperazine;hydrochloride
CID 120764443
4-[2-(3-fluorophenyl)piperazin-1-yl]sulfonyl-1-methylpyrrole-2-carboxamide;hydrochloride
CID 120764946
4-[2-(3-fluorophenyl)piperazin-1-yl]sulfonyl-2,1,3-benzoxadiazole
CID 120764643
1-(2,6-dimethoxyphenyl)sulfonyl-2-(3-fluorophenyl)piperazine
CID 120764422

Frequently Asked Questions

What is the IUPAC name of 5-[2-(3-fluorophenyl)piperazin-1-yl]sulfonyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine;hydrochloride?
The IUPAC name of 5-[2-(3-fluorophenyl)piperazin-1-yl]sulfonyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine;hydrochloride (CID 120764952) is 5-[2-(3-fluorophenyl)piperazin-1-yl]sulfonyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine;hydrochloride.
What is the SMILES notation for 5-[2-(3-fluorophenyl)piperazin-1-yl]sulfonyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine;hydrochloride?
The canonical SMILES for 5-[2-(3-fluorophenyl)piperazin-1-yl]sulfonyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine;hydrochloride is Cc1noc2ncc(S(=O)(=O)N3CCNCC3c3cccc(F)c3)cc12.Cl.
What is the InChIKey of 5-[2-(3-fluorophenyl)piperazin-1-yl]sulfonyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine;hydrochloride?
The InChIKey is GLXQNLQWIRQKLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN4O3S.ClH/c1-11-15-8-14(9-20-17(15)25-21-11)26(23,24)22-6-5-19-10-16(22)12-3-2-4-13(18)7-12;/h2-4,7-9,16,19H,5-6,10H2,1H3;1H.
What are the key properties of 5-[2-(3-fluorophenyl)piperazin-1-yl]sulfonyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine;hydrochloride?
5-[2-(3-fluorophenyl)piperazin-1-yl]sulfonyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine;hydrochloride has a molecular weight of 412.87 g/mol, XLogP of 2.43, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(3-fluorophenyl)piperazin-1-yl]sulfonyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine;hydrochloride is sourced from PubChem (CID 120764952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).