1-[2-hydroxy-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]-N-(1,2-oxazol-4-yl)piperidine-4-carboxamide

C20H23N3O5 — CID 118050001

IUPAC1-[2-hydroxy-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]-N-(1,2-oxazol-4-yl)piperidine-4-carboxamide
SMILESCc1c(C(O)CN2CCC(C(=O)Nc3cnoc3)CC2)ccc2c1COC2=O
InChIInChI=1S/C20H23N3O5/c1-12-15(2-3-16-17(12)11-27-20(16)26)18(24)9-23-6-4-13(5-7-23)19(25)22-14-8-21-28-10-14/h2-3,8,10,13,18,24H,4-7,9,11H2,1H3,(H,22,25)
InChIKeyDUVZIASQFRFBDL-UHFFFAOYSA-N
MW385.42 g/mol
LogP2.04
Rot. Bonds5

About 1-[2-hydroxy-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]-N-(1,2-oxazol-4-yl)piperidine-4-carboxamide

1-[2-hydroxy-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]-N-(1,2-oxazol-4-yl)piperidine-4-carboxamide (PubChem CID 118050001) has the molecular formula C20H23N3O5 and a molecular weight of 385.42 g/mol. Its IUPAC name is 1-[2-hydroxy-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]-N-(1,2-oxazol-4-yl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-hydroxy-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]-N-(1,2-oxazol-4-yl)piperidine-4-carboxamide
PubChem CID118050001
Molecular FormulaC20H23N3O5
Molecular Weight385.42 g/mol
Exact Mass385.16
IUPAC Name1-[2-hydroxy-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]-N-(1,2-oxazol-4-yl)piperidine-4-carboxamide
SMILESCc1c(C(O)CN2CCC(C(=O)Nc3cnoc3)CC2)ccc2c1COC2=O
InChIInChI=1S/C20H23N3O5/c1-12-15(2-3-16-17(12)11-27-20(16)26)18(24)9-23-6-4-13(5-7-23)19(25)22-14-8-21-28-10-14/h2-3,8,10,13,18,24H,4-7,9,11H2,1H3,(H,22,25)
InChIKeyDUVZIASQFRFBDL-UHFFFAOYSA-N
XLogP2.04
TPSA104.90 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.42
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[2-hydroxy-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]-N-(1,2-oxazol-4-yl)piperidine-4-carboxamide?
The IUPAC name of 1-[2-hydroxy-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]-N-(1,2-oxazol-4-yl)piperidine-4-carboxamide (CID 118050001) is 1-[2-hydroxy-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]-N-(1,2-oxazol-4-yl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[2-hydroxy-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]-N-(1,2-oxazol-4-yl)piperidine-4-carboxamide?
The canonical SMILES for 1-[2-hydroxy-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]-N-(1,2-oxazol-4-yl)piperidine-4-carboxamide is Cc1c(C(O)CN2CCC(C(=O)Nc3cnoc3)CC2)ccc2c1COC2=O.
What is the InChIKey of 1-[2-hydroxy-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]-N-(1,2-oxazol-4-yl)piperidine-4-carboxamide?
The InChIKey is DUVZIASQFRFBDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O5/c1-12-15(2-3-16-17(12)11-27-20(16)26)18(24)9-23-6-4-13(5-7-23)19(25)22-14-8-21-28-10-14/h2-3,8,10,13,18,24H,4-7,9,11H2,1H3,(H,22,25).
What are the key properties of 1-[2-hydroxy-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]-N-(1,2-oxazol-4-yl)piperidine-4-carboxamide?
1-[2-hydroxy-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]-N-(1,2-oxazol-4-yl)piperidine-4-carboxamide has a molecular weight of 385.42 g/mol, XLogP of 2.04, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-hydroxy-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]-N-(1,2-oxazol-4-yl)piperidine-4-carboxamide is sourced from PubChem (CID 118050001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).