5-(3,5-dimethyl-1-benzofuran-2-yl)-3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazole

C16H16N2O3 — CID 97437360

IUPAC5-(3,5-dimethyl-1-benzofuran-2-yl)-3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazole
SMILESCc1ccc2oc(-c3nc([C@@H]4CCOC4)no3)c(C)c2c1
InChIInChI=1S/C16H16N2O3/c1-9-3-4-13-12(7-9)10(2)14(20-13)16-17-15(18-21-16)11-5-6-19-8-11/h3-4,7,11H,5-6,8H2,1-2H3/t11-/m1/s1
InChIKeyPLUHPDUFDGJARY-LLVKDONJSA-N
MW284.31 g/mol
LogP3.60
Rot. Bonds2

About 5-(3,5-dimethyl-1-benzofuran-2-yl)-3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazole

5-(3,5-dimethyl-1-benzofuran-2-yl)-3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazole (PubChem CID 97437360) has the molecular formula C16H16N2O3 and a molecular weight of 284.31 g/mol. Its IUPAC name is 5-(3,5-dimethyl-1-benzofuran-2-yl)-3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(3,5-dimethyl-1-benzofuran-2-yl)-3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazole
PubChem CID97437360
Molecular FormulaC16H16N2O3
Molecular Weight284.31 g/mol
Exact Mass284.12
IUPAC Name5-(3,5-dimethyl-1-benzofuran-2-yl)-3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazole
SMILESCc1ccc2oc(-c3nc([C@@H]4CCOC4)no3)c(C)c2c1
InChIInChI=1S/C16H16N2O3/c1-9-3-4-13-12(7-9)10(2)14(20-13)16-17-15(18-21-16)11-5-6-19-8-11/h3-4,7,11H,5-6,8H2,1-2H3/t11-/m1/s1
InChIKeyPLUHPDUFDGJARY-LLVKDONJSA-N
XLogP3.60
TPSA61.29 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-(3,5-dimethyl-1-benzofuran-2-yl)-3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazole with MolForge

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Related Compounds

5-(5-methyl-1-benzofuran-2-yl)-3-(oxolan-3-yl)-1,2,4-oxadiazole
CID 72914270
4-methyl-2-[3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]phenol
CID 136678833
6-methyl-4-[3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]-1H-quinolin-2-one
CID 97438027
3-[(3S)-oxolan-3-yl]-5-(2,4,6-trimethylphenyl)-1,2,4-oxadiazole
CID 97436766
5-(3-methyl-1H-indol-2-yl)-3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazole
CID 136903584
5-(3,5-dimethyl-1-benzofuran-2-yl)-3-[(1-methylpiperidin-4-yl)methyl]-1,2,4-oxadiazole
CID 70706677
3-(oxolan-3-yl)-5-(2,4,5-trimethylphenyl)-1,2,4-oxadiazole
CID 72939607
5-(4-methoxy-3,5-dimethylphenyl)-3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazole
CID 97436599
5-(5-fluoro-2-methylphenyl)-3-(oxolan-3-yl)-1,2,4-oxadiazole
CID 72916243
4-methyl-2-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]aniline
CID 65329788
5-(2,4-dimethylquinolin-7-yl)-3-(oxolan-3-yl)-1,2,4-oxadiazole
CID 72897701
5-(1,3-dimethylindol-2-yl)-3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazole
CID 97437031

Frequently Asked Questions

What is the IUPAC name of 5-(3,5-dimethyl-1-benzofuran-2-yl)-3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazole?
The IUPAC name of 5-(3,5-dimethyl-1-benzofuran-2-yl)-3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazole (CID 97437360) is 5-(3,5-dimethyl-1-benzofuran-2-yl)-3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-(3,5-dimethyl-1-benzofuran-2-yl)-3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazole?
The canonical SMILES for 5-(3,5-dimethyl-1-benzofuran-2-yl)-3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazole is Cc1ccc2oc(-c3nc([C@@H]4CCOC4)no3)c(C)c2c1.
What is the InChIKey of 5-(3,5-dimethyl-1-benzofuran-2-yl)-3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazole?
The InChIKey is PLUHPDUFDGJARY-LLVKDONJSA-N. The full InChI is InChI=1S/C16H16N2O3/c1-9-3-4-13-12(7-9)10(2)14(20-13)16-17-15(18-21-16)11-5-6-19-8-11/h3-4,7,11H,5-6,8H2,1-2H3/t11-/m1/s1.
What are the key properties of 5-(3,5-dimethyl-1-benzofuran-2-yl)-3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazole?
5-(3,5-dimethyl-1-benzofuran-2-yl)-3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazole has a molecular weight of 284.31 g/mol, XLogP of 3.60, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,5-dimethyl-1-benzofuran-2-yl)-3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazole is sourced from PubChem (CID 97437360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).