(4-ethoxy-1-benzofuran-6-yl)-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone

C24H23N3O4 — CID 91946356

IUPAC(4-ethoxy-1-benzofuran-6-yl)-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
SMILESCCOc1cc(C(=O)N2CCC(c3nc(-c4ccccc4)no3)CC2)cc2occc12
InChIInChI=1S/C24H23N3O4/c1-2-29-20-14-18(15-21-19(20)10-13-30-21)24(28)27-11-8-17(9-12-27)23-25-22(26-31-23)16-6-4-3-5-7-16/h3-7,10,13-15,17H,2,8-9,11-12H2,1H3
InChIKeyGKGWWMSVDWWAHA-UHFFFAOYSA-N
MW417.47 g/mol
LogP4.90
Rot. Bonds5

About (4-ethoxy-1-benzofuran-6-yl)-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone

(4-ethoxy-1-benzofuran-6-yl)-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone (PubChem CID 91946356) has the molecular formula C24H23N3O4 and a molecular weight of 417.47 g/mol. Its IUPAC name is (4-ethoxy-1-benzofuran-6-yl)-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(4-ethoxy-1-benzofuran-6-yl)-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
PubChem CID91946356
Molecular FormulaC24H23N3O4
Molecular Weight417.47 g/mol
Exact Mass417.17
IUPAC Name(4-ethoxy-1-benzofuran-6-yl)-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
SMILESCCOc1cc(C(=O)N2CCC(c3nc(-c4ccccc4)no3)CC2)cc2occc12
InChIInChI=1S/C24H23N3O4/c1-2-29-20-14-18(15-21-19(20)10-13-30-21)24(28)27-11-8-17(9-12-27)23-25-22(26-31-23)16-6-4-3-5-7-16/h3-7,10,13-15,17H,2,8-9,11-12H2,1H3
InChIKeyGKGWWMSVDWWAHA-UHFFFAOYSA-N
XLogP4.90
TPSA81.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.47
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(2-ethoxyphenyl)-[4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone
CID 53051395
[2-(2-ethoxyethoxy)phenyl]-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
CID 86889077
[2-(cyclopropylmethoxy)phenyl]-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
CID 86889075
(4-ethoxyphenyl)-[4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone
CID 53051394
(3-methyl-1,2-oxazol-5-yl)-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
CID 91946331
(3,5-dimethylphenyl)-[4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone
CID 53051382
(3,5-dimethyl-1-benzofuran-2-yl)-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
CID 91946326
N-tert-butyl-4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide
CID 42760961
(1-methylcyclopropyl)-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
CID 136514881
N-(2-ethoxyphenyl)-4-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide
CID 42761024
(3-methyl-4-nitrophenyl)-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
CID 53051352
(3-methylthiophen-2-yl)-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
CID 91946382

Frequently Asked Questions

What is the IUPAC name of (4-ethoxy-1-benzofuran-6-yl)-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone?
The IUPAC name of (4-ethoxy-1-benzofuran-6-yl)-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone (CID 91946356) is (4-ethoxy-1-benzofuran-6-yl)-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone.
What is the SMILES notation for (4-ethoxy-1-benzofuran-6-yl)-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone?
The canonical SMILES for (4-ethoxy-1-benzofuran-6-yl)-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone is CCOc1cc(C(=O)N2CCC(c3nc(-c4ccccc4)no3)CC2)cc2occc12.
What is the InChIKey of (4-ethoxy-1-benzofuran-6-yl)-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone?
The InChIKey is GKGWWMSVDWWAHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O4/c1-2-29-20-14-18(15-21-19(20)10-13-30-21)24(28)27-11-8-17(9-12-27)23-25-22(26-31-23)16-6-4-3-5-7-16/h3-7,10,13-15,17H,2,8-9,11-12H2,1H3.
What are the key properties of (4-ethoxy-1-benzofuran-6-yl)-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone?
(4-ethoxy-1-benzofuran-6-yl)-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone has a molecular weight of 417.47 g/mol, XLogP of 4.90, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethoxy-1-benzofuran-6-yl)-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 91946356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).