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

C16H18N4O3S — CID 154768832

IUPAC6-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]pyridine-3-carbonitrile
SMILESCc1noc(C)c1S(=O)(=O)N1CCC(c2ccc(C#N)cn2)CC1
InChIInChI=1S/C16H18N4O3S/c1-11-16(12(2)23-19-11)24(21,22)20-7-5-14(6-8-20)15-4-3-13(9-17)10-18-15/h3-4,10,14H,5-8H2,1-2H3
InChIKeyJVKRIWGQJNXOCA-UHFFFAOYSA-N
MW346.41 g/mol
LogP2.13
Rot. Bonds3

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

6-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]pyridine-3-carbonitrile (PubChem CID 154768832) has the molecular formula C16H18N4O3S and a molecular weight of 346.41 g/mol. Its IUPAC name is 6-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]pyridine-3-carbonitrile
PubChem CID154768832
Molecular FormulaC16H18N4O3S
Molecular Weight346.41 g/mol
Exact Mass346.11
IUPAC Name6-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]pyridine-3-carbonitrile
SMILESCc1noc(C)c1S(=O)(=O)N1CCC(c2ccc(C#N)cn2)CC1
InChIInChI=1S/C16H18N4O3S/c1-11-16(12(2)23-19-11)24(21,22)20-7-5-14(6-8-20)15-4-3-13(9-17)10-18-15/h3-4,10,14H,5-8H2,1-2H3
InChIKeyJVKRIWGQJNXOCA-UHFFFAOYSA-N
XLogP2.13
TPSA100.09 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.41
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

6-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]pyridine-3-carbonitrile
CID 23763505
6-[1-(7-bicyclo[4.1.0]heptanylsulfonyl)piperidin-4-yl]pyridine-3-carbonitrile
CID 155956863
6-(1-methylpiperidin-4-yl)pyridine-3-carbonitrile
CID 115022328
O-[[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]methyl]hydroxylamine
CID 39392885
[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]methanol
CID 39373161
4-[4-(benzenesulfonyl)piperidin-1-yl]sulfonyl-3,5-dimethyl-1,2-oxazole
CID 90589443
4-[(2R)-1-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]-1-oxopropan-2-yl]oxybenzonitrile
CID 9151235
N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]pyrimidin-4-amine
CID 126887171
1-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]ethanone
CID 63846405
4-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]sulfonyl-3,5-dimethyl-1,2-oxazole
CID 24685775
3,5-dimethyl-4-[4-(1-methylindol-2-yl)piperidin-1-yl]sulfonyl-1,2-oxazole
CID 113088010
4-[3-(chloromethyl)pyrrolidin-1-yl]sulfonyl-3,5-dimethyl-1,2-oxazole
CID 63401014

Frequently Asked Questions

What is the IUPAC name of 6-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]pyridine-3-carbonitrile?
The IUPAC name of 6-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]pyridine-3-carbonitrile (CID 154768832) is 6-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]pyridine-3-carbonitrile.
What is the SMILES notation for 6-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]pyridine-3-carbonitrile?
The canonical SMILES for 6-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]pyridine-3-carbonitrile is Cc1noc(C)c1S(=O)(=O)N1CCC(c2ccc(C#N)cn2)CC1.
What is the InChIKey of 6-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]pyridine-3-carbonitrile?
The InChIKey is JVKRIWGQJNXOCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O3S/c1-11-16(12(2)23-19-11)24(21,22)20-7-5-14(6-8-20)15-4-3-13(9-17)10-18-15/h3-4,10,14H,5-8H2,1-2H3.
What are the key properties of 6-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]pyridine-3-carbonitrile?
6-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]pyridine-3-carbonitrile has a molecular weight of 346.41 g/mol, XLogP of 2.13, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]pyridine-3-carbonitrile is sourced from PubChem (CID 154768832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).