5-[5-(difluoromethyl)-1-methylpyrazol-3-yl]-3-(2,2-dimethyl-3H-1-benzofuran-7-yl)-1,2,4-oxadiazole

C17H16F2N4O2 — CID 154848291

IUPAC5-[5-(difluoromethyl)-1-methylpyrazol-3-yl]-3-(2,2-dimethyl-3H-1-benzofuran-7-yl)-1,2,4-oxadiazole
SMILESCn1nc(-c2nc(-c3cccc4c3OC(C)(C)C4)no2)cc1C(F)F
InChIInChI=1S/C17H16F2N4O2/c1-17(2)8-9-5-4-6-10(13(9)24-17)15-20-16(25-22-15)11-7-12(14(18)19)23(3)21-11/h4-7,14H,8H2,1-3H3
InChIKeyGYRGDJWCHUYFGN-UHFFFAOYSA-N
MW346.34 g/mol
LogP3.79
Rot. Bonds3

About 5-[5-(difluoromethyl)-1-methylpyrazol-3-yl]-3-(2,2-dimethyl-3H-1-benzofuran-7-yl)-1,2,4-oxadiazole

5-[5-(difluoromethyl)-1-methylpyrazol-3-yl]-3-(2,2-dimethyl-3H-1-benzofuran-7-yl)-1,2,4-oxadiazole (PubChem CID 154848291) has the molecular formula C17H16F2N4O2 and a molecular weight of 346.34 g/mol. Its IUPAC name is 5-[5-(difluoromethyl)-1-methylpyrazol-3-yl]-3-(2,2-dimethyl-3H-1-benzofuran-7-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[5-(difluoromethyl)-1-methylpyrazol-3-yl]-3-(2,2-dimethyl-3H-1-benzofuran-7-yl)-1,2,4-oxadiazole
PubChem CID154848291
Molecular FormulaC17H16F2N4O2
Molecular Weight346.34 g/mol
Exact Mass346.12
IUPAC Name5-[5-(difluoromethyl)-1-methylpyrazol-3-yl]-3-(2,2-dimethyl-3H-1-benzofuran-7-yl)-1,2,4-oxadiazole
SMILESCn1nc(-c2nc(-c3cccc4c3OC(C)(C)C4)no2)cc1C(F)F
InChIInChI=1S/C17H16F2N4O2/c1-17(2)8-9-5-4-6-10(13(9)24-17)15-20-16(25-22-15)11-7-12(14(18)19)23(3)21-11/h4-7,14H,8H2,1-3H3
InChIKeyGYRGDJWCHUYFGN-UHFFFAOYSA-N
XLogP3.79
TPSA65.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.34
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4,6-dichloro-2-(2,2-dimethyl-3H-1-benzofuran-7-yl)-5-iodopyrimidine
CID 66311639
2-(2,2-dimethyl-3H-1-benzofuran-7-yl)pyrimidin-5-amine
CID 64506787
5-bromo-2-(2,2-dimethyl-3H-1-benzofuran-7-yl)pyrimidin-4-amine
CID 66296826
4-chloro-2-(2,2-dimethyl-3H-1-benzofuran-7-yl)-6-propylpyrimidine
CID 64509260
5-(2,2-dimethyl-3H-1-benzofuran-7-yl)-3-methylimidazol-4-amine
CID 64506808
4-(chloromethyl)-2-(2,2-dimethyl-3H-1-benzofuran-7-yl)-1,3-thiazole
CID 64506573
4-(2,2-dimethyl-3H-1-benzofuran-7-yl)imidazole-1,5-diamine
CID 64507030
N-[[5-(difluoromethyl)-1-methyltriazol-4-yl]methyl]-2,2-dimethyl-3H-1-benzofuran-7-sulfonamide
CID 167881135
2-(2,2-dimethyl-3H-1-benzofuran-7-yl)-5-iodo-N-methylpyrimidin-4-amine
CID 66297626
4-(2,2-dimethyl-3H-1-benzofuran-7-yl)-2-methylimidazole-1,5-diamine
CID 64507252
(5-bromo-3-methyltriazol-4-yl)-(2,2-dimethyl-3H-1-benzofuran-7-yl)methanol
CID 106461250
(2,2-dimethyl-3H-1-benzofuran-7-yl)methanamine
CID 18525713

Frequently Asked Questions

What is the IUPAC name of 5-[5-(difluoromethyl)-1-methylpyrazol-3-yl]-3-(2,2-dimethyl-3H-1-benzofuran-7-yl)-1,2,4-oxadiazole?
The IUPAC name of 5-[5-(difluoromethyl)-1-methylpyrazol-3-yl]-3-(2,2-dimethyl-3H-1-benzofuran-7-yl)-1,2,4-oxadiazole (CID 154848291) is 5-[5-(difluoromethyl)-1-methylpyrazol-3-yl]-3-(2,2-dimethyl-3H-1-benzofuran-7-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-[5-(difluoromethyl)-1-methylpyrazol-3-yl]-3-(2,2-dimethyl-3H-1-benzofuran-7-yl)-1,2,4-oxadiazole?
The canonical SMILES for 5-[5-(difluoromethyl)-1-methylpyrazol-3-yl]-3-(2,2-dimethyl-3H-1-benzofuran-7-yl)-1,2,4-oxadiazole is Cn1nc(-c2nc(-c3cccc4c3OC(C)(C)C4)no2)cc1C(F)F.
What is the InChIKey of 5-[5-(difluoromethyl)-1-methylpyrazol-3-yl]-3-(2,2-dimethyl-3H-1-benzofuran-7-yl)-1,2,4-oxadiazole?
The InChIKey is GYRGDJWCHUYFGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F2N4O2/c1-17(2)8-9-5-4-6-10(13(9)24-17)15-20-16(25-22-15)11-7-12(14(18)19)23(3)21-11/h4-7,14H,8H2,1-3H3.
What are the key properties of 5-[5-(difluoromethyl)-1-methylpyrazol-3-yl]-3-(2,2-dimethyl-3H-1-benzofuran-7-yl)-1,2,4-oxadiazole?
5-[5-(difluoromethyl)-1-methylpyrazol-3-yl]-3-(2,2-dimethyl-3H-1-benzofuran-7-yl)-1,2,4-oxadiazole has a molecular weight of 346.34 g/mol, XLogP of 3.79, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-(difluoromethyl)-1-methylpyrazol-3-yl]-3-(2,2-dimethyl-3H-1-benzofuran-7-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 154848291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).