3-[5-(5-acetylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]-1-(3-propanoylpiperidin-1-yl)propan-1-one

C19H23N3O4S — CID 24791957

IUPAC3-[5-(5-acetylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]-1-(3-propanoylpiperidin-1-yl)propan-1-one
SMILESCCC(=O)C1CCCN(C(=O)CCc2nnc(-c3ccc(C(C)=O)s3)o2)C1
InChIInChI=1S/C19H23N3O4S/c1-3-14(24)13-5-4-10-22(11-13)18(25)9-8-17-20-21-19(26-17)16-7-6-15(27-16)12(2)23/h6-7,13H,3-5,8-11H2,1-2H3
InChIKeyGZDOIDNTSRDMAG-UHFFFAOYSA-N
MW389.48 g/mol
LogP3.15
Rot. Bonds7

About 3-[5-(5-acetylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]-1-(3-propanoylpiperidin-1-yl)propan-1-one

3-[5-(5-acetylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]-1-(3-propanoylpiperidin-1-yl)propan-1-one (PubChem CID 24791957) has the molecular formula C19H23N3O4S and a molecular weight of 389.48 g/mol. Its IUPAC name is 3-[5-(5-acetylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]-1-(3-propanoylpiperidin-1-yl)propan-1-one.

Molecular Properties

Compound Name3-[5-(5-acetylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]-1-(3-propanoylpiperidin-1-yl)propan-1-one
PubChem CID24791957
Molecular FormulaC19H23N3O4S
Molecular Weight389.48 g/mol
Exact Mass389.14
IUPAC Name3-[5-(5-acetylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]-1-(3-propanoylpiperidin-1-yl)propan-1-one
SMILESCCC(=O)C1CCCN(C(=O)CCc2nnc(-c3ccc(C(C)=O)s3)o2)C1
InChIInChI=1S/C19H23N3O4S/c1-3-14(24)13-5-4-10-22(11-13)18(25)9-8-17-20-21-19(26-17)16-7-6-15(27-16)12(2)23/h6-7,13H,3-5,8-11H2,1-2H3
InChIKeyGZDOIDNTSRDMAG-UHFFFAOYSA-N
XLogP3.15
TPSA93.37 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.48
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[5-(5-acetylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]-1-(3-propanoylpiperidin-1-yl)propan-1-one?
The IUPAC name of 3-[5-(5-acetylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]-1-(3-propanoylpiperidin-1-yl)propan-1-one (CID 24791957) is 3-[5-(5-acetylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]-1-(3-propanoylpiperidin-1-yl)propan-1-one.
What is the SMILES notation for 3-[5-(5-acetylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]-1-(3-propanoylpiperidin-1-yl)propan-1-one?
The canonical SMILES for 3-[5-(5-acetylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]-1-(3-propanoylpiperidin-1-yl)propan-1-one is CCC(=O)C1CCCN(C(=O)CCc2nnc(-c3ccc(C(C)=O)s3)o2)C1.
What is the InChIKey of 3-[5-(5-acetylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]-1-(3-propanoylpiperidin-1-yl)propan-1-one?
The InChIKey is GZDOIDNTSRDMAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O4S/c1-3-14(24)13-5-4-10-22(11-13)18(25)9-8-17-20-21-19(26-17)16-7-6-15(27-16)12(2)23/h6-7,13H,3-5,8-11H2,1-2H3.
What are the key properties of 3-[5-(5-acetylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]-1-(3-propanoylpiperidin-1-yl)propan-1-one?
3-[5-(5-acetylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]-1-(3-propanoylpiperidin-1-yl)propan-1-one has a molecular weight of 389.48 g/mol, XLogP of 3.15, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(5-acetylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]-1-(3-propanoylpiperidin-1-yl)propan-1-one is sourced from PubChem (CID 24791957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).