2-(difluoromethyl)-5-[4-[[4-(2-methoxyphenyl)triazol-1-yl]methyl]phenyl]-1,3,4-oxadiazole

C19H15F2N5O2 — CID 162722490

IUPAC2-(difluoromethyl)-5-[4-[[4-(2-methoxyphenyl)triazol-1-yl]methyl]phenyl]-1,3,4-oxadiazole
SMILESCOc1ccccc1-c1cn(Cc2ccc(-c3nnc(C(F)F)o3)cc2)nn1
InChIInChI=1S/C19H15F2N5O2/c1-27-16-5-3-2-4-14(16)15-11-26(25-22-15)10-12-6-8-13(9-7-12)18-23-24-19(28-18)17(20)21/h2-9,11,17H,10H2,1H3
InChIKeyFWDDHYMTBWKMBP-UHFFFAOYSA-N
MW383.36 g/mol
LogP3.99
Rot. Bonds6

About 2-(difluoromethyl)-5-[4-[[4-(2-methoxyphenyl)triazol-1-yl]methyl]phenyl]-1,3,4-oxadiazole

2-(difluoromethyl)-5-[4-[[4-(2-methoxyphenyl)triazol-1-yl]methyl]phenyl]-1,3,4-oxadiazole (PubChem CID 162722490) has the molecular formula C19H15F2N5O2 and a molecular weight of 383.36 g/mol. Its IUPAC name is 2-(difluoromethyl)-5-[4-[[4-(2-methoxyphenyl)triazol-1-yl]methyl]phenyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(difluoromethyl)-5-[4-[[4-(2-methoxyphenyl)triazol-1-yl]methyl]phenyl]-1,3,4-oxadiazole
PubChem CID162722490
Molecular FormulaC19H15F2N5O2
Molecular Weight383.36 g/mol
Exact Mass383.12
IUPAC Name2-(difluoromethyl)-5-[4-[[4-(2-methoxyphenyl)triazol-1-yl]methyl]phenyl]-1,3,4-oxadiazole
SMILESCOc1ccccc1-c1cn(Cc2ccc(-c3nnc(C(F)F)o3)cc2)nn1
InChIInChI=1S/C19H15F2N5O2/c1-27-16-5-3-2-4-14(16)15-11-26(25-22-15)10-12-6-8-13(9-7-12)18-23-24-19(28-18)17(20)21/h2-9,11,17H,10H2,1H3
InChIKeyFWDDHYMTBWKMBP-UHFFFAOYSA-N
XLogP3.99
TPSA78.86 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.36
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-5-[4-[[4-(2-methoxyphenyl)triazol-1-yl]methyl]phenyl]-1,3,4-oxadiazole?
The IUPAC name of 2-(difluoromethyl)-5-[4-[[4-(2-methoxyphenyl)triazol-1-yl]methyl]phenyl]-1,3,4-oxadiazole (CID 162722490) is 2-(difluoromethyl)-5-[4-[[4-(2-methoxyphenyl)triazol-1-yl]methyl]phenyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-(difluoromethyl)-5-[4-[[4-(2-methoxyphenyl)triazol-1-yl]methyl]phenyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-(difluoromethyl)-5-[4-[[4-(2-methoxyphenyl)triazol-1-yl]methyl]phenyl]-1,3,4-oxadiazole is COc1ccccc1-c1cn(Cc2ccc(-c3nnc(C(F)F)o3)cc2)nn1.
What is the InChIKey of 2-(difluoromethyl)-5-[4-[[4-(2-methoxyphenyl)triazol-1-yl]methyl]phenyl]-1,3,4-oxadiazole?
The InChIKey is FWDDHYMTBWKMBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F2N5O2/c1-27-16-5-3-2-4-14(16)15-11-26(25-22-15)10-12-6-8-13(9-7-12)18-23-24-19(28-18)17(20)21/h2-9,11,17H,10H2,1H3.
What are the key properties of 2-(difluoromethyl)-5-[4-[[4-(2-methoxyphenyl)triazol-1-yl]methyl]phenyl]-1,3,4-oxadiazole?
2-(difluoromethyl)-5-[4-[[4-(2-methoxyphenyl)triazol-1-yl]methyl]phenyl]-1,3,4-oxadiazole has a molecular weight of 383.36 g/mol, XLogP of 3.99, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-5-[4-[[4-(2-methoxyphenyl)triazol-1-yl]methyl]phenyl]-1,3,4-oxadiazole is sourced from PubChem (CID 162722490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).