[3-[1-(3-methyl-1-benzofuran-2-carbonyl)piperidin-4-yl]-1,2-oxazol-5-yl]-(3-methylpiperidin-1-yl)methanone

C25H29N3O4 — CID 110228843

IUPAC[3-[1-(3-methyl-1-benzofuran-2-carbonyl)piperidin-4-yl]-1,2-oxazol-5-yl]-(3-methylpiperidin-1-yl)methanone
SMILESCc1c(C(=O)N2CCC(c3cc(C(=O)N4CCCC(C)C4)on3)CC2)oc2ccccc12
InChIInChI=1S/C25H29N3O4/c1-16-6-5-11-28(15-16)24(29)22-14-20(26-32-22)18-9-12-27(13-10-18)25(30)23-17(2)19-7-3-4-8-21(19)31-23/h3-4,7-8,14,16,18H,5-6,9-13,15H2,1-2H3
InChIKeyLZBIEYOSCGEVQO-UHFFFAOYSA-N
MW435.52 g/mol
LogP4.62
Rot. Bonds3

About [3-[1-(3-methyl-1-benzofuran-2-carbonyl)piperidin-4-yl]-1,2-oxazol-5-yl]-(3-methylpiperidin-1-yl)methanone

[3-[1-(3-methyl-1-benzofuran-2-carbonyl)piperidin-4-yl]-1,2-oxazol-5-yl]-(3-methylpiperidin-1-yl)methanone (PubChem CID 110228843) has the molecular formula C25H29N3O4 and a molecular weight of 435.52 g/mol. Its IUPAC name is [3-[1-(3-methyl-1-benzofuran-2-carbonyl)piperidin-4-yl]-1,2-oxazol-5-yl]-(3-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[3-[1-(3-methyl-1-benzofuran-2-carbonyl)piperidin-4-yl]-1,2-oxazol-5-yl]-(3-methylpiperidin-1-yl)methanone
PubChem CID110228843
Molecular FormulaC25H29N3O4
Molecular Weight435.52 g/mol
Exact Mass435.22
IUPAC Name[3-[1-(3-methyl-1-benzofuran-2-carbonyl)piperidin-4-yl]-1,2-oxazol-5-yl]-(3-methylpiperidin-1-yl)methanone
SMILESCc1c(C(=O)N2CCC(c3cc(C(=O)N4CCCC(C)C4)on3)CC2)oc2ccccc12
InChIInChI=1S/C25H29N3O4/c1-16-6-5-11-28(15-16)24(29)22-14-20(26-32-22)18-9-12-27(13-10-18)25(30)23-17(2)19-7-3-4-8-21(19)31-23/h3-4,7-8,14,16,18H,5-6,9-13,15H2,1-2H3
InChIKeyLZBIEYOSCGEVQO-UHFFFAOYSA-N
XLogP4.62
TPSA79.79 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.52
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(3-methyl-1-benzofuran-2-yl)-[(3R)-3-methylpiperidin-1-yl]methanone
CID 888224
[3-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-1-yl]-(3-methyl-1-benzofuran-2-yl)methanone
CID 110259313
(3-methyl-1-benzofuran-2-yl)-piperidin-1-ylmethanone
CID 768762
(3-methyl-1-benzofuran-2-yl)-(4-pyridin-4-ylpiperidin-1-yl)methanone
CID 16676076
[3-(4-methylphenyl)-1,2-oxazol-5-yl]-(3-methylpiperidin-1-yl)methanone
CID 86980129
(3-methyl-1-benzofuran-2-yl)-[(3R)-3-(5-methyl-1H-imidazol-2-yl)piperidin-1-yl]methanone
CID 124970480
[(3S)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-(3-methyl-1-benzofuran-2-yl)methanone
CID 9291499
[1-(3-methyl-1-benzofuran-2-carbonyl)piperidin-4-yl]-(4-methylpiperidin-1-yl)methanone
CID 47067179
[3-(methylaminomethyl)piperidin-1-yl]-(3-methyl-1-benzofuran-2-yl)methanone;hydrochloride
CID 119398830
[(3S)-3-hydroxypiperidin-1-yl]-[3-[1-(naphthalen-1-ylmethyl)piperidin-4-yl]-1,2-oxazol-5-yl]methanone
CID 92576677
[4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(3-methyl-1-benzofuran-2-yl)methanone
CID 91946452
[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-(3-methyl-1-benzofuran-2-yl)methanone
CID 8751835

Frequently Asked Questions

What is the IUPAC name of [3-[1-(3-methyl-1-benzofuran-2-carbonyl)piperidin-4-yl]-1,2-oxazol-5-yl]-(3-methylpiperidin-1-yl)methanone?
The IUPAC name of [3-[1-(3-methyl-1-benzofuran-2-carbonyl)piperidin-4-yl]-1,2-oxazol-5-yl]-(3-methylpiperidin-1-yl)methanone (CID 110228843) is [3-[1-(3-methyl-1-benzofuran-2-carbonyl)piperidin-4-yl]-1,2-oxazol-5-yl]-(3-methylpiperidin-1-yl)methanone.
What is the SMILES notation for [3-[1-(3-methyl-1-benzofuran-2-carbonyl)piperidin-4-yl]-1,2-oxazol-5-yl]-(3-methylpiperidin-1-yl)methanone?
The canonical SMILES for [3-[1-(3-methyl-1-benzofuran-2-carbonyl)piperidin-4-yl]-1,2-oxazol-5-yl]-(3-methylpiperidin-1-yl)methanone is Cc1c(C(=O)N2CCC(c3cc(C(=O)N4CCCC(C)C4)on3)CC2)oc2ccccc12.
What is the InChIKey of [3-[1-(3-methyl-1-benzofuran-2-carbonyl)piperidin-4-yl]-1,2-oxazol-5-yl]-(3-methylpiperidin-1-yl)methanone?
The InChIKey is LZBIEYOSCGEVQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O4/c1-16-6-5-11-28(15-16)24(29)22-14-20(26-32-22)18-9-12-27(13-10-18)25(30)23-17(2)19-7-3-4-8-21(19)31-23/h3-4,7-8,14,16,18H,5-6,9-13,15H2,1-2H3.
What are the key properties of [3-[1-(3-methyl-1-benzofuran-2-carbonyl)piperidin-4-yl]-1,2-oxazol-5-yl]-(3-methylpiperidin-1-yl)methanone?
[3-[1-(3-methyl-1-benzofuran-2-carbonyl)piperidin-4-yl]-1,2-oxazol-5-yl]-(3-methylpiperidin-1-yl)methanone has a molecular weight of 435.52 g/mol, XLogP of 4.62, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[1-(3-methyl-1-benzofuran-2-carbonyl)piperidin-4-yl]-1,2-oxazol-5-yl]-(3-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 110228843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).