3-methyl-5-(5-piperidin-1-ylsulfonylthiophen-2-yl)-1,2-oxazole

C13H16N2O3S2 — CID 20936285

IUPAC3-methyl-5-(5-piperidin-1-ylsulfonylthiophen-2-yl)-1,2-oxazole
SMILESCc1cc(-c2ccc(S(=O)(=O)N3CCCCC3)s2)on1
InChIInChI=1S/C13H16N2O3S2/c1-10-9-11(18-14-10)12-5-6-13(19-12)20(16,17)15-7-3-2-4-8-15/h5-6,9H,2-4,7-8H2,1H3
InChIKeyKTXUJNABCNHOAT-UHFFFAOYSA-N
MW312.42 g/mol
LogP2.89
Rot. Bonds3

About 3-methyl-5-(5-piperidin-1-ylsulfonylthiophen-2-yl)-1,2-oxazole

3-methyl-5-(5-piperidin-1-ylsulfonylthiophen-2-yl)-1,2-oxazole (PubChem CID 20936285) has the molecular formula C13H16N2O3S2 and a molecular weight of 312.42 g/mol. Its IUPAC name is 3-methyl-5-(5-piperidin-1-ylsulfonylthiophen-2-yl)-1,2-oxazole.

Molecular Properties

Compound Name3-methyl-5-(5-piperidin-1-ylsulfonylthiophen-2-yl)-1,2-oxazole
PubChem CID20936285
Molecular FormulaC13H16N2O3S2
Molecular Weight312.42 g/mol
Exact Mass312.06
IUPAC Name3-methyl-5-(5-piperidin-1-ylsulfonylthiophen-2-yl)-1,2-oxazole
SMILESCc1cc(-c2ccc(S(=O)(=O)N3CCCCC3)s2)on1
InChIInChI=1S/C13H16N2O3S2/c1-10-9-11(18-14-10)12-5-6-13(19-12)20(16,17)15-7-3-2-4-8-15/h5-6,9H,2-4,7-8H2,1H3
InChIKeyKTXUJNABCNHOAT-UHFFFAOYSA-N
XLogP2.89
TPSA63.41 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-(5-piperidin-1-ylsulfonylthiophen-2-yl)-1,2-oxazole?
The IUPAC name of 3-methyl-5-(5-piperidin-1-ylsulfonylthiophen-2-yl)-1,2-oxazole (CID 20936285) is 3-methyl-5-(5-piperidin-1-ylsulfonylthiophen-2-yl)-1,2-oxazole.
What is the SMILES notation for 3-methyl-5-(5-piperidin-1-ylsulfonylthiophen-2-yl)-1,2-oxazole?
The canonical SMILES for 3-methyl-5-(5-piperidin-1-ylsulfonylthiophen-2-yl)-1,2-oxazole is Cc1cc(-c2ccc(S(=O)(=O)N3CCCCC3)s2)on1.
What is the InChIKey of 3-methyl-5-(5-piperidin-1-ylsulfonylthiophen-2-yl)-1,2-oxazole?
The InChIKey is KTXUJNABCNHOAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3S2/c1-10-9-11(18-14-10)12-5-6-13(19-12)20(16,17)15-7-3-2-4-8-15/h5-6,9H,2-4,7-8H2,1H3.
What are the key properties of 3-methyl-5-(5-piperidin-1-ylsulfonylthiophen-2-yl)-1,2-oxazole?
3-methyl-5-(5-piperidin-1-ylsulfonylthiophen-2-yl)-1,2-oxazole has a molecular weight of 312.42 g/mol, XLogP of 2.89, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-(5-piperidin-1-ylsulfonylthiophen-2-yl)-1,2-oxazole is sourced from PubChem (CID 20936285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).