3-[[4-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]piperidin-1-yl]methyl]-1,3-benzoxazol-2-one

C23H26N2O4 — CID 47060755

IUPAC3-[[4-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]piperidin-1-yl]methyl]-1,3-benzoxazol-2-one
SMILESCC1(C)Cc2cccc(OC3CCN(Cn4c(=O)oc5ccccc54)CC3)c2O1
InChIInChI=1S/C23H26N2O4/c1-23(2)14-16-6-5-9-20(21(16)29-23)27-17-10-12-24(13-11-17)15-25-18-7-3-4-8-19(18)28-22(25)26/h3-9,17H,10-15H2,1-2H3
InChIKeyMGUMYIFZCYHEDI-UHFFFAOYSA-N
MW394.47 g/mol
LogP3.81
Rot. Bonds4

About 3-[[4-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]piperidin-1-yl]methyl]-1,3-benzoxazol-2-one

3-[[4-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]piperidin-1-yl]methyl]-1,3-benzoxazol-2-one (PubChem CID 47060755) has the molecular formula C23H26N2O4 and a molecular weight of 394.47 g/mol. Its IUPAC name is 3-[[4-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]piperidin-1-yl]methyl]-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name3-[[4-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]piperidin-1-yl]methyl]-1,3-benzoxazol-2-one
PubChem CID47060755
Molecular FormulaC23H26N2O4
Molecular Weight394.47 g/mol
Exact Mass394.19
IUPAC Name3-[[4-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]piperidin-1-yl]methyl]-1,3-benzoxazol-2-one
SMILESCC1(C)Cc2cccc(OC3CCN(Cn4c(=O)oc5ccccc54)CC3)c2O1
InChIInChI=1S/C23H26N2O4/c1-23(2)14-16-6-5-9-20(21(16)29-23)27-17-10-12-24(13-11-17)15-25-18-7-3-4-8-19(18)28-22(25)26/h3-9,17H,10-15H2,1-2H3
InChIKeyMGUMYIFZCYHEDI-UHFFFAOYSA-N
XLogP3.81
TPSA56.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.47
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-[[4-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]piperidin-1-yl]methyl]-1,3-benzoxazol-2-one with MolForge

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Launch Full Analysis

Related Compounds

7-[[4-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]piperidin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 47056919
N-[2-[4-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]piperidin-1-yl]-2-oxoethyl]-N-methylprop-2-enamide
CID 166406542
3-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]cyclobutan-1-amine
CID 66357094
3-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]piperidine-2,6-dione
CID 146573714
3-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-methylcyclopentan-1-amine
CID 79642532
3-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-ethylcyclopentan-1-amine
CID 79642651
3-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]-1,3-benzoxazol-2-one
CID 25377942
1-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethyl]azetidine
CID 141352701
1-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]piperidin-4-amine
CID 64509514
3-(1,4-thiazepan-4-ylmethyl)-1,3-benzoxazol-2-one
CID 56813268
3-[2-[4-(2,3-dihydro-1H-inden-2-yl)piperazin-1-yl]ethyl]-1,3-benzoxazol-2-one
CID 56705602
3-[[4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]methyl]-1,3-benzoxazol-2-one
CID 42955973

Frequently Asked Questions

What is the IUPAC name of 3-[[4-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]piperidin-1-yl]methyl]-1,3-benzoxazol-2-one?
The IUPAC name of 3-[[4-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]piperidin-1-yl]methyl]-1,3-benzoxazol-2-one (CID 47060755) is 3-[[4-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]piperidin-1-yl]methyl]-1,3-benzoxazol-2-one.
What is the SMILES notation for 3-[[4-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]piperidin-1-yl]methyl]-1,3-benzoxazol-2-one?
The canonical SMILES for 3-[[4-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]piperidin-1-yl]methyl]-1,3-benzoxazol-2-one is CC1(C)Cc2cccc(OC3CCN(Cn4c(=O)oc5ccccc54)CC3)c2O1.
What is the InChIKey of 3-[[4-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]piperidin-1-yl]methyl]-1,3-benzoxazol-2-one?
The InChIKey is MGUMYIFZCYHEDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O4/c1-23(2)14-16-6-5-9-20(21(16)29-23)27-17-10-12-24(13-11-17)15-25-18-7-3-4-8-19(18)28-22(25)26/h3-9,17H,10-15H2,1-2H3.
What are the key properties of 3-[[4-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]piperidin-1-yl]methyl]-1,3-benzoxazol-2-one?
3-[[4-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]piperidin-1-yl]methyl]-1,3-benzoxazol-2-one has a molecular weight of 394.47 g/mol, XLogP of 3.81, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]piperidin-1-yl]methyl]-1,3-benzoxazol-2-one is sourced from PubChem (CID 47060755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).