1,3-dihydro-2-benzofuran-5-yl-[2-(5-ethyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methanone

C17H19N3O3 — CID 71928988

IUPAC1,3-dihydro-2-benzofuran-5-yl-[2-(5-ethyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methanone
SMILESCCc1nc(C2CCCN2C(=O)c2ccc3c(c2)COC3)no1
InChIInChI=1S/C17H19N3O3/c1-2-15-18-16(19-23-15)14-4-3-7-20(14)17(21)11-5-6-12-9-22-10-13(12)8-11/h5-6,8,14H,2-4,7,9-10H2,1H3
InChIKeyFZQVDGPZXACZSO-UHFFFAOYSA-N
MW313.36 g/mol
LogP2.64
Rot. Bonds3

About 1,3-dihydro-2-benzofuran-5-yl-[2-(5-ethyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methanone

1,3-dihydro-2-benzofuran-5-yl-[2-(5-ethyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methanone (PubChem CID 71928988) has the molecular formula C17H19N3O3 and a molecular weight of 313.36 g/mol. Its IUPAC name is 1,3-dihydro-2-benzofuran-5-yl-[2-(5-ethyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name1,3-dihydro-2-benzofuran-5-yl-[2-(5-ethyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methanone
PubChem CID71928988
Molecular FormulaC17H19N3O3
Molecular Weight313.36 g/mol
Exact Mass313.14
IUPAC Name1,3-dihydro-2-benzofuran-5-yl-[2-(5-ethyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methanone
SMILESCCc1nc(C2CCCN2C(=O)c2ccc3c(c2)COC3)no1
InChIInChI=1S/C17H19N3O3/c1-2-15-18-16(19-23-15)14-4-3-7-20(14)17(21)11-5-6-12-9-22-10-13(12)8-11/h5-6,8,14H,2-4,7,9-10H2,1H3
InChIKeyFZQVDGPZXACZSO-UHFFFAOYSA-N
XLogP2.64
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1,3-dihydro-2-benzofuran-5-yl-[2-(5-ethyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methanone?
The IUPAC name of 1,3-dihydro-2-benzofuran-5-yl-[2-(5-ethyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methanone (CID 71928988) is 1,3-dihydro-2-benzofuran-5-yl-[2-(5-ethyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for 1,3-dihydro-2-benzofuran-5-yl-[2-(5-ethyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methanone?
The canonical SMILES for 1,3-dihydro-2-benzofuran-5-yl-[2-(5-ethyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methanone is CCc1nc(C2CCCN2C(=O)c2ccc3c(c2)COC3)no1.
What is the InChIKey of 1,3-dihydro-2-benzofuran-5-yl-[2-(5-ethyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methanone?
The InChIKey is FZQVDGPZXACZSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O3/c1-2-15-18-16(19-23-15)14-4-3-7-20(14)17(21)11-5-6-12-9-22-10-13(12)8-11/h5-6,8,14H,2-4,7,9-10H2,1H3.
What are the key properties of 1,3-dihydro-2-benzofuran-5-yl-[2-(5-ethyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methanone?
1,3-dihydro-2-benzofuran-5-yl-[2-(5-ethyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methanone has a molecular weight of 313.36 g/mol, XLogP of 2.64, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dihydro-2-benzofuran-5-yl-[2-(5-ethyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 71928988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).