6-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]pyridine-3-carbonitrile

C15H17N5O3S — CID 23763505

IUPAC6-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]pyridine-3-carbonitrile
SMILESCc1noc(C)c1S(=O)(=O)N1CCN(c2ccc(C#N)cn2)CC1
InChIInChI=1S/C15H17N5O3S/c1-11-15(12(2)23-18-11)24(21,22)20-7-5-19(6-8-20)14-4-3-13(9-16)10-17-14/h3-4,10H,5-8H2,1-2H3
InChIKeyHEZLWCRHGJVJAI-UHFFFAOYSA-N
MW347.40 g/mol
LogP1.07
Rot. Bonds3

About 6-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]pyridine-3-carbonitrile

6-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]pyridine-3-carbonitrile (PubChem CID 23763505) has the molecular formula C15H17N5O3S and a molecular weight of 347.40 g/mol. Its IUPAC name is 6-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]pyridine-3-carbonitrile
PubChem CID23763505
Molecular FormulaC15H17N5O3S
Molecular Weight347.40 g/mol
Exact Mass347.11
IUPAC Name6-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]pyridine-3-carbonitrile
SMILESCc1noc(C)c1S(=O)(=O)N1CCN(c2ccc(C#N)cn2)CC1
InChIInChI=1S/C15H17N5O3S/c1-11-15(12(2)23-18-11)24(21,22)20-7-5-19(6-8-20)14-4-3-13(9-16)10-17-14/h3-4,10H,5-8H2,1-2H3
InChIKeyHEZLWCRHGJVJAI-UHFFFAOYSA-N
XLogP1.07
TPSA103.33 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.40
LogP ≤ 51.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 6-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]pyridine-3-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]pyridine-3-carbonitrile?
The IUPAC name of 6-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]pyridine-3-carbonitrile (CID 23763505) is 6-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]pyridine-3-carbonitrile.
What is the SMILES notation for 6-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]pyridine-3-carbonitrile?
The canonical SMILES for 6-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]pyridine-3-carbonitrile is Cc1noc(C)c1S(=O)(=O)N1CCN(c2ccc(C#N)cn2)CC1.
What is the InChIKey of 6-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]pyridine-3-carbonitrile?
The InChIKey is HEZLWCRHGJVJAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O3S/c1-11-15(12(2)23-18-11)24(21,22)20-7-5-19(6-8-20)14-4-3-13(9-16)10-17-14/h3-4,10H,5-8H2,1-2H3.
What are the key properties of 6-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]pyridine-3-carbonitrile?
6-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]pyridine-3-carbonitrile has a molecular weight of 347.40 g/mol, XLogP of 1.07, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]pyridine-3-carbonitrile is sourced from PubChem (CID 23763505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).