5-(4,7-dimethyl-1-benzofuran-2-yl)-1,2,4-oxadiazole

C12H10N2O2 — CID 145101951

IUPAC5-(4,7-dimethyl-1-benzofuran-2-yl)-1,2,4-oxadiazole
SMILESCc1ccc(C)c2oc(-c3ncno3)cc12
InChIInChI=1S/C12H10N2O2/c1-7-3-4-8(2)11-9(7)5-10(15-11)12-13-6-14-16-12/h3-6H,1-2H3
InChIKeyACLUFONNPCIORR-UHFFFAOYSA-N
MW214.22 g/mol
LogP3.10
Rot. Bonds1

About 5-(4,7-dimethyl-1-benzofuran-2-yl)-1,2,4-oxadiazole

5-(4,7-dimethyl-1-benzofuran-2-yl)-1,2,4-oxadiazole (PubChem CID 145101951) has the molecular formula C12H10N2O2 and a molecular weight of 214.22 g/mol. Its IUPAC name is 5-(4,7-dimethyl-1-benzofuran-2-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(4,7-dimethyl-1-benzofuran-2-yl)-1,2,4-oxadiazole
PubChem CID145101951
Molecular FormulaC12H10N2O2
Molecular Weight214.22 g/mol
Exact Mass214.07
IUPAC Name5-(4,7-dimethyl-1-benzofuran-2-yl)-1,2,4-oxadiazole
SMILESCc1ccc(C)c2oc(-c3ncno3)cc12
InChIInChI=1S/C12H10N2O2/c1-7-3-4-8(2)11-9(7)5-10(15-11)12-13-6-14-16-12/h3-6H,1-2H3
InChIKeyACLUFONNPCIORR-UHFFFAOYSA-N
XLogP3.10
TPSA52.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.22
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-(4,7-dimethyl-1-benzofuran-2-yl)-1,2,4-oxadiazole with MolForge

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Related Compounds

Unii-N8lrs5gbb6
CID 121414283
4-[5-(4,7-Dimethyl-1-benzofuran-2-yl)-1,2,4-oxadiazol-3-yl]-2-methylbenzoic acid
CID 121414303
4-[5-(4,7-Dimethyl-1-benzofuran-2-yl)-1,2,4-oxadiazol-3-yl]-2-fluorobenzoic acid
CID 121414313
4-[5-[7-Fluoro-4-(trifluoromethyl)-1-benzofuran-2-yl]-1,2,4-oxadiazol-3-yl]benzoic acid
CID 121414318
4-[5-(4,7-Dimethyl-1-benzofuran-2-yl)-1,2,4-oxadiazol-3-yl]-3-methylbenzoic acid
CID 132129743
4-[5-(4,7-Dimethyl-1-benzofuran-2-yl)-1,2,4-oxadiazol-3-yl]-3-fluorobenzoic acid
CID 155546317
US10752616, Code No. BHBA-004
CID 121432524
US10752616, Code No. BHBA-010
CID 121414325
US10752616, Code No. BHBA-008
CID 121414292
3-[3,5-Bis(trifluoromethyl)phenyl]-5-(3-methyl-1-benzofuran-2-yl)-1,2,4-oxadiazole
CID 2727759
Sodium 4-[5-(4,7-dimethyl-1-benzofuran-2-yl)-1,2,4-oxadiazol-3-yl]benzoate
CID 155567657
N-[(3-naphthalen-2-yl-1,2,4-oxadiazol-5-yl)methyl]-N-propan-2-yl-1-benzofuran-2-carboxamide
CID 162643573

Frequently Asked Questions

What is the IUPAC name of 5-(4,7-dimethyl-1-benzofuran-2-yl)-1,2,4-oxadiazole?
The IUPAC name of 5-(4,7-dimethyl-1-benzofuran-2-yl)-1,2,4-oxadiazole (CID 145101951) is 5-(4,7-dimethyl-1-benzofuran-2-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-(4,7-dimethyl-1-benzofuran-2-yl)-1,2,4-oxadiazole?
The canonical SMILES for 5-(4,7-dimethyl-1-benzofuran-2-yl)-1,2,4-oxadiazole is Cc1ccc(C)c2oc(-c3ncno3)cc12.
What is the InChIKey of 5-(4,7-dimethyl-1-benzofuran-2-yl)-1,2,4-oxadiazole?
The InChIKey is ACLUFONNPCIORR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O2/c1-7-3-4-8(2)11-9(7)5-10(15-11)12-13-6-14-16-12/h3-6H,1-2H3.
What are the key properties of 5-(4,7-dimethyl-1-benzofuran-2-yl)-1,2,4-oxadiazole?
5-(4,7-dimethyl-1-benzofuran-2-yl)-1,2,4-oxadiazole has a molecular weight of 214.22 g/mol, XLogP of 3.10, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4,7-dimethyl-1-benzofuran-2-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 145101951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).