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

C19H19N3O2S — CID 50846501

IUPAC[4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-1-yl]-thiophen-2-ylmethanone
SMILESO=C(c1cccs1)N1CCC(Cc2nnc(-c3ccccc3)o2)CC1
InChIInChI=1S/C19H19N3O2S/c23-19(16-7-4-12-25-16)22-10-8-14(9-11-22)13-17-20-21-18(24-17)15-5-2-1-3-6-15/h1-7,12,14H,8-11,13H2
InChIKeyHZSYMKWBPMPKFC-UHFFFAOYSA-N
MW353.45 g/mol
LogP3.89
Rot. Bonds4

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

[4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-1-yl]-thiophen-2-ylmethanone (PubChem CID 50846501) has the molecular formula C19H19N3O2S and a molecular weight of 353.45 g/mol. Its IUPAC name is [4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-1-yl]-thiophen-2-ylmethanone.

Molecular Properties

Compound Name[4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-1-yl]-thiophen-2-ylmethanone
PubChem CID50846501
Molecular FormulaC19H19N3O2S
Molecular Weight353.45 g/mol
Exact Mass353.12
IUPAC Name[4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-1-yl]-thiophen-2-ylmethanone
SMILESO=C(c1cccs1)N1CCC(Cc2nnc(-c3ccccc3)o2)CC1
InChIInChI=1S/C19H19N3O2S/c23-19(16-7-4-12-25-16)22-10-8-14(9-11-22)13-17-20-21-18(24-17)15-5-2-1-3-6-15/h1-7,12,14H,8-11,13H2
InChIKeyHZSYMKWBPMPKFC-UHFFFAOYSA-N
XLogP3.89
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.45
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-1-yl]-thiophen-2-ylmethanone?
The IUPAC name of [4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-1-yl]-thiophen-2-ylmethanone (CID 50846501) is [4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-1-yl]-thiophen-2-ylmethanone.
What is the SMILES notation for [4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-1-yl]-thiophen-2-ylmethanone?
The canonical SMILES for [4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-1-yl]-thiophen-2-ylmethanone is O=C(c1cccs1)N1CCC(Cc2nnc(-c3ccccc3)o2)CC1.
What is the InChIKey of [4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-1-yl]-thiophen-2-ylmethanone?
The InChIKey is HZSYMKWBPMPKFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2S/c23-19(16-7-4-12-25-16)22-10-8-14(9-11-22)13-17-20-21-18(24-17)15-5-2-1-3-6-15/h1-7,12,14H,8-11,13H2.
What are the key properties of [4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-1-yl]-thiophen-2-ylmethanone?
[4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-1-yl]-thiophen-2-ylmethanone has a molecular weight of 353.45 g/mol, XLogP of 3.89, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-1-yl]-thiophen-2-ylmethanone is sourced from PubChem (CID 50846501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).