2-(2-methylphenyl)-5-piperazin-1-ylsulfonyl-1,3-oxazole-4-carbonitrile;hydrochloride

C15H17ClN4O3S — CID 171692068

IUPAC2-(2-methylphenyl)-5-piperazin-1-ylsulfonyl-1,3-oxazole-4-carbonitrile;hydrochloride
SMILESCc1ccccc1-c1nc(C#N)c(S(=O)(=O)N2CCNCC2)o1.Cl
InChIInChI=1S/C15H16N4O3S.ClH/c1-11-4-2-3-5-12(11)14-18-13(10-16)15(22-14)23(20,21)19-8-6-17-7-9-19;/h2-5,17H,6-9H2,1H3;1H
InChIKeyFHZFUBNAQXLUCU-UHFFFAOYSA-N
MW368.85 g/mol
LogP1.54
Rot. Bonds3

About 2-(2-methylphenyl)-5-piperazin-1-ylsulfonyl-1,3-oxazole-4-carbonitrile;hydrochloride

2-(2-methylphenyl)-5-piperazin-1-ylsulfonyl-1,3-oxazole-4-carbonitrile;hydrochloride (PubChem CID 171692068) has the molecular formula C15H17ClN4O3S and a molecular weight of 368.85 g/mol. Its IUPAC name is 2-(2-methylphenyl)-5-piperazin-1-ylsulfonyl-1,3-oxazole-4-carbonitrile;hydrochloride.

Molecular Properties

Compound Name2-(2-methylphenyl)-5-piperazin-1-ylsulfonyl-1,3-oxazole-4-carbonitrile;hydrochloride
PubChem CID171692068
Molecular FormulaC15H17ClN4O3S
Molecular Weight368.85 g/mol
Exact Mass368.07
IUPAC Name2-(2-methylphenyl)-5-piperazin-1-ylsulfonyl-1,3-oxazole-4-carbonitrile;hydrochloride
SMILESCc1ccccc1-c1nc(C#N)c(S(=O)(=O)N2CCNCC2)o1.Cl
InChIInChI=1S/C15H16N4O3S.ClH/c1-11-4-2-3-5-12(11)14-18-13(10-16)15(22-14)23(20,21)19-8-6-17-7-9-19;/h2-5,17H,6-9H2,1H3;1H
InChIKeyFHZFUBNAQXLUCU-UHFFFAOYSA-N
XLogP1.54
TPSA99.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.85
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylphenyl)-5-piperazin-1-ylsulfonyl-1,3-oxazole-4-carbonitrile;hydrochloride?
The IUPAC name of 2-(2-methylphenyl)-5-piperazin-1-ylsulfonyl-1,3-oxazole-4-carbonitrile;hydrochloride (CID 171692068) is 2-(2-methylphenyl)-5-piperazin-1-ylsulfonyl-1,3-oxazole-4-carbonitrile;hydrochloride.
What is the SMILES notation for 2-(2-methylphenyl)-5-piperazin-1-ylsulfonyl-1,3-oxazole-4-carbonitrile;hydrochloride?
The canonical SMILES for 2-(2-methylphenyl)-5-piperazin-1-ylsulfonyl-1,3-oxazole-4-carbonitrile;hydrochloride is Cc1ccccc1-c1nc(C#N)c(S(=O)(=O)N2CCNCC2)o1.Cl.
What is the InChIKey of 2-(2-methylphenyl)-5-piperazin-1-ylsulfonyl-1,3-oxazole-4-carbonitrile;hydrochloride?
The InChIKey is FHZFUBNAQXLUCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O3S.ClH/c1-11-4-2-3-5-12(11)14-18-13(10-16)15(22-14)23(20,21)19-8-6-17-7-9-19;/h2-5,17H,6-9H2,1H3;1H.
What are the key properties of 2-(2-methylphenyl)-5-piperazin-1-ylsulfonyl-1,3-oxazole-4-carbonitrile;hydrochloride?
2-(2-methylphenyl)-5-piperazin-1-ylsulfonyl-1,3-oxazole-4-carbonitrile;hydrochloride has a molecular weight of 368.85 g/mol, XLogP of 1.54, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylphenyl)-5-piperazin-1-ylsulfonyl-1,3-oxazole-4-carbonitrile;hydrochloride is sourced from PubChem (CID 171692068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).