[4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]-(2-methyl-1-benzofuran-5-yl)methanone

C21H23N3O3 — CID 72867251

IUPAC[4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]-(2-methyl-1-benzofuran-5-yl)methanone
SMILESCc1cc2cc(C(=O)N3CCC(Cc4noc(C5CC5)n4)CC3)ccc2o1
InChIInChI=1S/C21H23N3O3/c1-13-10-17-12-16(4-5-18(17)26-13)21(25)24-8-6-14(7-9-24)11-19-22-20(27-23-19)15-2-3-15/h4-5,10,12,14-15H,2-3,6-9,11H2,1H3
InChIKeyNIODRXWHZPAVCJ-UHFFFAOYSA-N
MW365.43 g/mol
LogP4.10
Rot. Bonds4

About [4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]-(2-methyl-1-benzofuran-5-yl)methanone

[4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]-(2-methyl-1-benzofuran-5-yl)methanone (PubChem CID 72867251) has the molecular formula C21H23N3O3 and a molecular weight of 365.43 g/mol. Its IUPAC name is [4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]-(2-methyl-1-benzofuran-5-yl)methanone.

Molecular Properties

Compound Name[4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]-(2-methyl-1-benzofuran-5-yl)methanone
PubChem CID72867251
Molecular FormulaC21H23N3O3
Molecular Weight365.43 g/mol
Exact Mass365.17
IUPAC Name[4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]-(2-methyl-1-benzofuran-5-yl)methanone
SMILESCc1cc2cc(C(=O)N3CCC(Cc4noc(C5CC5)n4)CC3)ccc2o1
InChIInChI=1S/C21H23N3O3/c1-13-10-17-12-16(4-5-18(17)26-13)21(25)24-8-6-14(7-9-24)11-19-22-20(27-23-19)15-2-3-15/h4-5,10,12,14-15H,2-3,6-9,11H2,1H3
InChIKeyNIODRXWHZPAVCJ-UHFFFAOYSA-N
XLogP4.10
TPSA72.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]-(2-methyl-1-benzofuran-5-yl)methanone?
The IUPAC name of [4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]-(2-methyl-1-benzofuran-5-yl)methanone (CID 72867251) is [4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]-(2-methyl-1-benzofuran-5-yl)methanone.
What is the SMILES notation for [4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]-(2-methyl-1-benzofuran-5-yl)methanone?
The canonical SMILES for [4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]-(2-methyl-1-benzofuran-5-yl)methanone is Cc1cc2cc(C(=O)N3CCC(Cc4noc(C5CC5)n4)CC3)ccc2o1.
What is the InChIKey of [4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]-(2-methyl-1-benzofuran-5-yl)methanone?
The InChIKey is NIODRXWHZPAVCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O3/c1-13-10-17-12-16(4-5-18(17)26-13)21(25)24-8-6-14(7-9-24)11-19-22-20(27-23-19)15-2-3-15/h4-5,10,12,14-15H,2-3,6-9,11H2,1H3.
What are the key properties of [4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]-(2-methyl-1-benzofuran-5-yl)methanone?
[4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]-(2-methyl-1-benzofuran-5-yl)methanone has a molecular weight of 365.43 g/mol, XLogP of 4.10, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]-(2-methyl-1-benzofuran-5-yl)methanone is sourced from PubChem (CID 72867251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).