1-piperidin-1-yl-2-[[5-[(4-propan-2-ylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone

C19H25N3O3S — CID 1134776

IUPAC1-piperidin-1-yl-2-[[5-[(4-propan-2-ylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone
SMILESCC(C)c1ccc(OCc2nnc(SCC(=O)N3CCCCC3)o2)cc1
InChIInChI=1S/C19H25N3O3S/c1-14(2)15-6-8-16(9-7-15)24-12-17-20-21-19(25-17)26-13-18(23)22-10-4-3-5-11-22/h6-9,14H,3-5,10-13H2,1-2H3
InChIKeyPMSGECHZLVWPDI-UHFFFAOYSA-N
MW375.49 g/mol
LogP3.88
Rot. Bonds7

About 1-piperidin-1-yl-2-[[5-[(4-propan-2-ylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone

1-piperidin-1-yl-2-[[5-[(4-propan-2-ylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone (PubChem CID 1134776) has the molecular formula C19H25N3O3S and a molecular weight of 375.49 g/mol. Its IUPAC name is 1-piperidin-1-yl-2-[[5-[(4-propan-2-ylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone.

Molecular Properties

Compound Name1-piperidin-1-yl-2-[[5-[(4-propan-2-ylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone
PubChem CID1134776
Molecular FormulaC19H25N3O3S
Molecular Weight375.49 g/mol
Exact Mass375.16
IUPAC Name1-piperidin-1-yl-2-[[5-[(4-propan-2-ylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone
SMILESCC(C)c1ccc(OCc2nnc(SCC(=O)N3CCCCC3)o2)cc1
InChIInChI=1S/C19H25N3O3S/c1-14(2)15-6-8-16(9-7-15)24-12-17-20-21-19(25-17)26-13-18(23)22-10-4-3-5-11-22/h6-9,14H,3-5,10-13H2,1-2H3
InChIKeyPMSGECHZLVWPDI-UHFFFAOYSA-N
XLogP3.88
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.49
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-piperidin-1-yl-2-[[5-[(4-propan-2-ylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone?
The IUPAC name of 1-piperidin-1-yl-2-[[5-[(4-propan-2-ylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone (CID 1134776) is 1-piperidin-1-yl-2-[[5-[(4-propan-2-ylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone.
What is the SMILES notation for 1-piperidin-1-yl-2-[[5-[(4-propan-2-ylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone?
The canonical SMILES for 1-piperidin-1-yl-2-[[5-[(4-propan-2-ylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone is CC(C)c1ccc(OCc2nnc(SCC(=O)N3CCCCC3)o2)cc1.
What is the InChIKey of 1-piperidin-1-yl-2-[[5-[(4-propan-2-ylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone?
The InChIKey is PMSGECHZLVWPDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O3S/c1-14(2)15-6-8-16(9-7-15)24-12-17-20-21-19(25-17)26-13-18(23)22-10-4-3-5-11-22/h6-9,14H,3-5,10-13H2,1-2H3.
What are the key properties of 1-piperidin-1-yl-2-[[5-[(4-propan-2-ylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone?
1-piperidin-1-yl-2-[[5-[(4-propan-2-ylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone has a molecular weight of 375.49 g/mol, XLogP of 3.88, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperidin-1-yl-2-[[5-[(4-propan-2-ylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone is sourced from PubChem (CID 1134776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).