[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-(3,6,7-trimethyl-1-benzofuran-2-yl)methanone

C21H25N3O3 — CID 70710222

IUPAC[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-(3,6,7-trimethyl-1-benzofuran-2-yl)methanone
SMILESCc1ccc2c(C)c(C(=O)N3CCCC3c3nc(C(C)C)no3)oc2c1C
InChIInChI=1S/C21H25N3O3/c1-11(2)19-22-20(27-23-19)16-7-6-10-24(16)21(25)18-14(5)15-9-8-12(3)13(4)17(15)26-18/h8-9,11,16H,6-7,10H2,1-5H3
InChIKeyGGUWPJWEUUAZOU-UHFFFAOYSA-N
MW367.45 g/mol
LogP4.84
Rot. Bonds3

About [2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-(3,6,7-trimethyl-1-benzofuran-2-yl)methanone

[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-(3,6,7-trimethyl-1-benzofuran-2-yl)methanone (PubChem CID 70710222) has the molecular formula C21H25N3O3 and a molecular weight of 367.45 g/mol. Its IUPAC name is [2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-(3,6,7-trimethyl-1-benzofuran-2-yl)methanone.

Molecular Properties

Compound Name[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-(3,6,7-trimethyl-1-benzofuran-2-yl)methanone
PubChem CID70710222
Molecular FormulaC21H25N3O3
Molecular Weight367.45 g/mol
Exact Mass367.19
IUPAC Name[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-(3,6,7-trimethyl-1-benzofuran-2-yl)methanone
SMILESCc1ccc2c(C)c(C(=O)N3CCCC3c3nc(C(C)C)no3)oc2c1C
InChIInChI=1S/C21H25N3O3/c1-11(2)19-22-20(27-23-19)16-7-6-10-24(16)21(25)18-14(5)15-9-8-12(3)13(4)17(15)26-18/h8-9,11,16H,6-7,10H2,1-5H3
InChIKeyGGUWPJWEUUAZOU-UHFFFAOYSA-N
XLogP4.84
TPSA72.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-(3,6,7-trimethyl-1-benzofuran-2-yl)methanone?
The IUPAC name of [2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-(3,6,7-trimethyl-1-benzofuran-2-yl)methanone (CID 70710222) is [2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-(3,6,7-trimethyl-1-benzofuran-2-yl)methanone.
What is the SMILES notation for [2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-(3,6,7-trimethyl-1-benzofuran-2-yl)methanone?
The canonical SMILES for [2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-(3,6,7-trimethyl-1-benzofuran-2-yl)methanone is Cc1ccc2c(C)c(C(=O)N3CCCC3c3nc(C(C)C)no3)oc2c1C.
What is the InChIKey of [2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-(3,6,7-trimethyl-1-benzofuran-2-yl)methanone?
The InChIKey is GGUWPJWEUUAZOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O3/c1-11(2)19-22-20(27-23-19)16-7-6-10-24(16)21(25)18-14(5)15-9-8-12(3)13(4)17(15)26-18/h8-9,11,16H,6-7,10H2,1-5H3.
What are the key properties of [2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-(3,6,7-trimethyl-1-benzofuran-2-yl)methanone?
[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-(3,6,7-trimethyl-1-benzofuran-2-yl)methanone has a molecular weight of 367.45 g/mol, XLogP of 4.84, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-(3,6,7-trimethyl-1-benzofuran-2-yl)methanone is sourced from PubChem (CID 70710222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).