[(2R)-2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-thiophen-2-ylmethanone

C19H19N3O2S — CID 54582622

IUPAC[(2R)-2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-thiophen-2-ylmethanone
SMILESCc1cccc(-c2noc([C@H]3CCCCN3C(=O)c3cccs3)n2)c1
InChIInChI=1S/C19H19N3O2S/c1-13-6-4-7-14(12-13)17-20-18(24-21-17)15-8-2-3-10-22(15)19(23)16-9-5-11-25-16/h4-7,9,11-12,15H,2-3,8,10H2,1H3/t15-/m1/s1
InChIKeyKVODCDLUQSNOCC-OAHLLOKOSA-N
MW353.45 g/mol
LogP4.47
Rot. Bonds3

About [(2R)-2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-thiophen-2-ylmethanone

[(2R)-2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-thiophen-2-ylmethanone (PubChem CID 54582622) has the molecular formula C19H19N3O2S and a molecular weight of 353.45 g/mol. Its IUPAC name is [(2R)-2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-thiophen-2-ylmethanone.

Molecular Properties

Compound Name[(2R)-2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-thiophen-2-ylmethanone
PubChem CID54582622
Molecular FormulaC19H19N3O2S
Molecular Weight353.45 g/mol
Exact Mass353.12
IUPAC Name[(2R)-2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-thiophen-2-ylmethanone
SMILESCc1cccc(-c2noc([C@H]3CCCCN3C(=O)c3cccs3)n2)c1
InChIInChI=1S/C19H19N3O2S/c1-13-6-4-7-14(12-13)17-20-18(24-21-17)15-8-2-3-10-22(15)19(23)16-9-5-11-25-16/h4-7,9,11-12,15H,2-3,8,10H2,1H3/t15-/m1/s1
InChIKeyKVODCDLUQSNOCC-OAHLLOKOSA-N
XLogP4.47
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.45
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [(2R)-2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-thiophen-2-ylmethanone?
The IUPAC name of [(2R)-2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-thiophen-2-ylmethanone (CID 54582622) is [(2R)-2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-thiophen-2-ylmethanone.
What is the SMILES notation for [(2R)-2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-thiophen-2-ylmethanone?
The canonical SMILES for [(2R)-2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-thiophen-2-ylmethanone is Cc1cccc(-c2noc([C@H]3CCCCN3C(=O)c3cccs3)n2)c1.
What is the InChIKey of [(2R)-2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-thiophen-2-ylmethanone?
The InChIKey is KVODCDLUQSNOCC-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H19N3O2S/c1-13-6-4-7-14(12-13)17-20-18(24-21-17)15-8-2-3-10-22(15)19(23)16-9-5-11-25-16/h4-7,9,11-12,15H,2-3,8,10H2,1H3/t15-/m1/s1.
What are the key properties of [(2R)-2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-thiophen-2-ylmethanone?
[(2R)-2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-thiophen-2-ylmethanone has a molecular weight of 353.45 g/mol, XLogP of 4.47, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-thiophen-2-ylmethanone is sourced from PubChem (CID 54582622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).