[5-(3,7-dimethyl-1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]-piperidin-1-ylmethanone

C18H19N3O3 — CID 53081315

IUPAC[5-(3,7-dimethyl-1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]-piperidin-1-ylmethanone
SMILESCc1c(-c2nnc(C(=O)N3CCCCC3)o2)oc2c(C)cccc12
InChIInChI=1S/C18H19N3O3/c1-11-7-6-8-13-12(2)15(23-14(11)13)16-19-20-17(24-16)18(22)21-9-4-3-5-10-21/h6-8H,3-5,9-10H2,1-2H3
InChIKeyXDVLUDAGMKCPRQ-UHFFFAOYSA-N
MW325.37 g/mol
LogP3.73
Rot. Bonds2

About [5-(3,7-dimethyl-1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]-piperidin-1-ylmethanone

[5-(3,7-dimethyl-1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]-piperidin-1-ylmethanone (PubChem CID 53081315) has the molecular formula C18H19N3O3 and a molecular weight of 325.37 g/mol. Its IUPAC name is [5-(3,7-dimethyl-1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[5-(3,7-dimethyl-1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]-piperidin-1-ylmethanone
PubChem CID53081315
Molecular FormulaC18H19N3O3
Molecular Weight325.37 g/mol
Exact Mass325.14
IUPAC Name[5-(3,7-dimethyl-1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]-piperidin-1-ylmethanone
SMILESCc1c(-c2nnc(C(=O)N3CCCCC3)o2)oc2c(C)cccc12
InChIInChI=1S/C18H19N3O3/c1-11-7-6-8-13-12(2)15(23-14(11)13)16-19-20-17(24-16)18(22)21-9-4-3-5-10-21/h6-8H,3-5,9-10H2,1-2H3
InChIKeyXDVLUDAGMKCPRQ-UHFFFAOYSA-N
XLogP3.73
TPSA72.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [5-(3,7-dimethyl-1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]-piperidin-1-ylmethanone?
The IUPAC name of [5-(3,7-dimethyl-1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]-piperidin-1-ylmethanone (CID 53081315) is [5-(3,7-dimethyl-1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]-piperidin-1-ylmethanone.
What is the SMILES notation for [5-(3,7-dimethyl-1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]-piperidin-1-ylmethanone?
The canonical SMILES for [5-(3,7-dimethyl-1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]-piperidin-1-ylmethanone is Cc1c(-c2nnc(C(=O)N3CCCCC3)o2)oc2c(C)cccc12.
What is the InChIKey of [5-(3,7-dimethyl-1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]-piperidin-1-ylmethanone?
The InChIKey is XDVLUDAGMKCPRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O3/c1-11-7-6-8-13-12(2)15(23-14(11)13)16-19-20-17(24-16)18(22)21-9-4-3-5-10-21/h6-8H,3-5,9-10H2,1-2H3.
What are the key properties of [5-(3,7-dimethyl-1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]-piperidin-1-ylmethanone?
[5-(3,7-dimethyl-1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]-piperidin-1-ylmethanone has a molecular weight of 325.37 g/mol, XLogP of 3.73, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(3,7-dimethyl-1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 53081315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).