2-[[5-(2-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-(2-methylpiperidin-1-yl)ethanone

C16H19N3O3S — CID 3181384

IUPAC2-[[5-(2-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-(2-methylpiperidin-1-yl)ethanone
SMILESCC1CCCCN1C(=O)CSc1nnc(-c2ccccc2O)o1
InChIInChI=1S/C16H19N3O3S/c1-11-6-4-5-9-19(11)14(21)10-23-16-18-17-15(22-16)12-7-2-3-8-13(12)20/h2-3,7-8,11,20H,4-6,9-10H2,1H3
InChIKeyRTLQWJIUROGJRD-UHFFFAOYSA-N
MW333.41 g/mol
LogP2.94
Rot. Bonds4

About 2-[[5-(2-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-(2-methylpiperidin-1-yl)ethanone

2-[[5-(2-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-(2-methylpiperidin-1-yl)ethanone (PubChem CID 3181384) has the molecular formula C16H19N3O3S and a molecular weight of 333.41 g/mol. Its IUPAC name is 2-[[5-(2-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-(2-methylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2-[[5-(2-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-(2-methylpiperidin-1-yl)ethanone
PubChem CID3181384
Molecular FormulaC16H19N3O3S
Molecular Weight333.41 g/mol
Exact Mass333.11
IUPAC Name2-[[5-(2-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-(2-methylpiperidin-1-yl)ethanone
SMILESCC1CCCCN1C(=O)CSc1nnc(-c2ccccc2O)o1
InChIInChI=1S/C16H19N3O3S/c1-11-6-4-5-9-19(11)14(21)10-23-16-18-17-15(22-16)12-7-2-3-8-13(12)20/h2-3,7-8,11,20H,4-6,9-10H2,1H3
InChIKeyRTLQWJIUROGJRD-UHFFFAOYSA-N
XLogP2.94
TPSA79.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.41
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-(2-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-(2-methylpiperidin-1-yl)ethanone?
The IUPAC name of 2-[[5-(2-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-(2-methylpiperidin-1-yl)ethanone (CID 3181384) is 2-[[5-(2-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-(2-methylpiperidin-1-yl)ethanone.
What is the SMILES notation for 2-[[5-(2-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-(2-methylpiperidin-1-yl)ethanone?
The canonical SMILES for 2-[[5-(2-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-(2-methylpiperidin-1-yl)ethanone is CC1CCCCN1C(=O)CSc1nnc(-c2ccccc2O)o1.
What is the InChIKey of 2-[[5-(2-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-(2-methylpiperidin-1-yl)ethanone?
The InChIKey is RTLQWJIUROGJRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3S/c1-11-6-4-5-9-19(11)14(21)10-23-16-18-17-15(22-16)12-7-2-3-8-13(12)20/h2-3,7-8,11,20H,4-6,9-10H2,1H3.
What are the key properties of 2-[[5-(2-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-(2-methylpiperidin-1-yl)ethanone?
2-[[5-(2-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-(2-methylpiperidin-1-yl)ethanone has a molecular weight of 333.41 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(2-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-(2-methylpiperidin-1-yl)ethanone is sourced from PubChem (CID 3181384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).