4-[3-(2,3-dihydro-1-benzofuran-5-yl)-1,2,4-oxadiazol-5-yl]-1-(1H-pyrazol-4-yl)pyrrolidin-2-one

C17H15N5O3 — CID 91651422

IUPAC4-[3-(2,3-dihydro-1-benzofuran-5-yl)-1,2,4-oxadiazol-5-yl]-1-(1H-pyrazol-4-yl)pyrrolidin-2-one
SMILESO=C1CC(c2nc(-c3ccc4c(c3)CCO4)no2)CN1c1cn[nH]c1
InChIInChI=1S/C17H15N5O3/c23-15-6-12(9-22(15)13-7-18-19-8-13)17-20-16(21-25-17)11-1-2-14-10(5-11)3-4-24-14/h1-2,5,7-8,12H,3-4,6,9H2,(H,18,19)
InChIKeyKEOGTZXMLQQQOJ-UHFFFAOYSA-N
MW337.34 g/mol
LogP1.92
Rot. Bonds3

About 4-[3-(2,3-dihydro-1-benzofuran-5-yl)-1,2,4-oxadiazol-5-yl]-1-(1H-pyrazol-4-yl)pyrrolidin-2-one

4-[3-(2,3-dihydro-1-benzofuran-5-yl)-1,2,4-oxadiazol-5-yl]-1-(1H-pyrazol-4-yl)pyrrolidin-2-one (PubChem CID 91651422) has the molecular formula C17H15N5O3 and a molecular weight of 337.34 g/mol. Its IUPAC name is 4-[3-(2,3-dihydro-1-benzofuran-5-yl)-1,2,4-oxadiazol-5-yl]-1-(1H-pyrazol-4-yl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-[3-(2,3-dihydro-1-benzofuran-5-yl)-1,2,4-oxadiazol-5-yl]-1-(1H-pyrazol-4-yl)pyrrolidin-2-one
PubChem CID91651422
Molecular FormulaC17H15N5O3
Molecular Weight337.34 g/mol
Exact Mass337.12
IUPAC Name4-[3-(2,3-dihydro-1-benzofuran-5-yl)-1,2,4-oxadiazol-5-yl]-1-(1H-pyrazol-4-yl)pyrrolidin-2-one
SMILESO=C1CC(c2nc(-c3ccc4c(c3)CCO4)no2)CN1c1cn[nH]c1
InChIInChI=1S/C17H15N5O3/c23-15-6-12(9-22(15)13-7-18-19-8-13)17-20-16(21-25-17)11-1-2-14-10(5-11)3-4-24-14/h1-2,5,7-8,12H,3-4,6,9H2,(H,18,19)
InChIKeyKEOGTZXMLQQQOJ-UHFFFAOYSA-N
XLogP1.92
TPSA97.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.34
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(2,3-dihydro-1-benzofuran-5-yl)-1,2,4-oxadiazol-5-yl]-1-(1H-pyrazol-4-yl)pyrrolidin-2-one?
The IUPAC name of 4-[3-(2,3-dihydro-1-benzofuran-5-yl)-1,2,4-oxadiazol-5-yl]-1-(1H-pyrazol-4-yl)pyrrolidin-2-one (CID 91651422) is 4-[3-(2,3-dihydro-1-benzofuran-5-yl)-1,2,4-oxadiazol-5-yl]-1-(1H-pyrazol-4-yl)pyrrolidin-2-one.
What is the SMILES notation for 4-[3-(2,3-dihydro-1-benzofuran-5-yl)-1,2,4-oxadiazol-5-yl]-1-(1H-pyrazol-4-yl)pyrrolidin-2-one?
The canonical SMILES for 4-[3-(2,3-dihydro-1-benzofuran-5-yl)-1,2,4-oxadiazol-5-yl]-1-(1H-pyrazol-4-yl)pyrrolidin-2-one is O=C1CC(c2nc(-c3ccc4c(c3)CCO4)no2)CN1c1cn[nH]c1.
What is the InChIKey of 4-[3-(2,3-dihydro-1-benzofuran-5-yl)-1,2,4-oxadiazol-5-yl]-1-(1H-pyrazol-4-yl)pyrrolidin-2-one?
The InChIKey is KEOGTZXMLQQQOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N5O3/c23-15-6-12(9-22(15)13-7-18-19-8-13)17-20-16(21-25-17)11-1-2-14-10(5-11)3-4-24-14/h1-2,5,7-8,12H,3-4,6,9H2,(H,18,19).
What are the key properties of 4-[3-(2,3-dihydro-1-benzofuran-5-yl)-1,2,4-oxadiazol-5-yl]-1-(1H-pyrazol-4-yl)pyrrolidin-2-one?
4-[3-(2,3-dihydro-1-benzofuran-5-yl)-1,2,4-oxadiazol-5-yl]-1-(1H-pyrazol-4-yl)pyrrolidin-2-one has a molecular weight of 337.34 g/mol, XLogP of 1.92, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2,3-dihydro-1-benzofuran-5-yl)-1,2,4-oxadiazol-5-yl]-1-(1H-pyrazol-4-yl)pyrrolidin-2-one is sourced from PubChem (CID 91651422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).