2-[6-[[4-(3,5-dichlorophenyl)triazol-1-yl]methyl]-3-pyridinyl]-5-(difluoromethyl)-1,3,4-oxadiazole

C17H10Cl2F2N6O — CID 155212697

IUPAC2-[6-[[4-(3,5-dichlorophenyl)triazol-1-yl]methyl]-3-pyridinyl]-5-(difluoromethyl)-1,3,4-oxadiazole
SMILESFC(F)c1nnc(-c2ccc(Cn3cc(-c4cc(Cl)cc(Cl)c4)nn3)nc2)o1
InChIInChI=1S/C17H10Cl2F2N6O/c18-11-3-10(4-12(19)5-11)14-8-27(26-23-14)7-13-2-1-9(6-22-13)16-24-25-17(28-16)15(20)21/h1-6,8,15H,7H2
InChIKeyHWRSJACVICQADS-UHFFFAOYSA-N
MW423.21 g/mol
LogP4.68
Rot. Bonds5

About 2-[6-[[4-(3,5-dichlorophenyl)triazol-1-yl]methyl]-3-pyridinyl]-5-(difluoromethyl)-1,3,4-oxadiazole

2-[6-[[4-(3,5-dichlorophenyl)triazol-1-yl]methyl]-3-pyridinyl]-5-(difluoromethyl)-1,3,4-oxadiazole (PubChem CID 155212697) has the molecular formula C17H10Cl2F2N6O and a molecular weight of 423.21 g/mol. Its IUPAC name is 2-[6-[[4-(3,5-dichlorophenyl)triazol-1-yl]methyl]-3-pyridinyl]-5-(difluoromethyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[6-[[4-(3,5-dichlorophenyl)triazol-1-yl]methyl]-3-pyridinyl]-5-(difluoromethyl)-1,3,4-oxadiazole
PubChem CID155212697
Molecular FormulaC17H10Cl2F2N6O
Molecular Weight423.21 g/mol
Exact Mass422.03
IUPAC Name2-[6-[[4-(3,5-dichlorophenyl)triazol-1-yl]methyl]-3-pyridinyl]-5-(difluoromethyl)-1,3,4-oxadiazole
SMILESFC(F)c1nnc(-c2ccc(Cn3cc(-c4cc(Cl)cc(Cl)c4)nn3)nc2)o1
InChIInChI=1S/C17H10Cl2F2N6O/c18-11-3-10(4-12(19)5-11)14-8-27(26-23-14)7-13-2-1-9(6-22-13)16-24-25-17(28-16)15(20)21/h1-6,8,15H,7H2
InChIKeyHWRSJACVICQADS-UHFFFAOYSA-N
XLogP4.68
TPSA82.52 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.21
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[6-[[4-(3,5-dichlorophenyl)triazol-1-yl]methyl]-3-pyridinyl]-5-(difluoromethyl)-1,3,4-oxadiazole?
The IUPAC name of 2-[6-[[4-(3,5-dichlorophenyl)triazol-1-yl]methyl]-3-pyridinyl]-5-(difluoromethyl)-1,3,4-oxadiazole (CID 155212697) is 2-[6-[[4-(3,5-dichlorophenyl)triazol-1-yl]methyl]-3-pyridinyl]-5-(difluoromethyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-[6-[[4-(3,5-dichlorophenyl)triazol-1-yl]methyl]-3-pyridinyl]-5-(difluoromethyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-[6-[[4-(3,5-dichlorophenyl)triazol-1-yl]methyl]-3-pyridinyl]-5-(difluoromethyl)-1,3,4-oxadiazole is FC(F)c1nnc(-c2ccc(Cn3cc(-c4cc(Cl)cc(Cl)c4)nn3)nc2)o1.
What is the InChIKey of 2-[6-[[4-(3,5-dichlorophenyl)triazol-1-yl]methyl]-3-pyridinyl]-5-(difluoromethyl)-1,3,4-oxadiazole?
The InChIKey is HWRSJACVICQADS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10Cl2F2N6O/c18-11-3-10(4-12(19)5-11)14-8-27(26-23-14)7-13-2-1-9(6-22-13)16-24-25-17(28-16)15(20)21/h1-6,8,15H,7H2.
What are the key properties of 2-[6-[[4-(3,5-dichlorophenyl)triazol-1-yl]methyl]-3-pyridinyl]-5-(difluoromethyl)-1,3,4-oxadiazole?
2-[6-[[4-(3,5-dichlorophenyl)triazol-1-yl]methyl]-3-pyridinyl]-5-(difluoromethyl)-1,3,4-oxadiazole has a molecular weight of 423.21 g/mol, XLogP of 4.68, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[[4-(3,5-dichlorophenyl)triazol-1-yl]methyl]-3-pyridinyl]-5-(difluoromethyl)-1,3,4-oxadiazole is sourced from PubChem (CID 155212697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).