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

C16H10F3N7O — CID 162443021

IUPAC2-(difluoromethyl)-5-[6-[[4-(4-fluoro-2-pyridinyl)triazol-1-yl]methyl]-3-pyridinyl]-1,3,4-oxadiazole
SMILESFc1ccnc(-c2cn(Cc3ccc(-c4nnc(C(F)F)o4)cn3)nn2)c1
InChIInChI=1S/C16H10F3N7O/c17-10-3-4-20-12(5-10)13-8-26(25-22-13)7-11-2-1-9(6-21-11)15-23-24-16(27-15)14(18)19/h1-6,8,14H,7H2
InChIKeyHKDQEHUHJIWRKN-UHFFFAOYSA-N
MW373.30 g/mol
LogP2.91
Rot. Bonds5

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

2-(difluoromethyl)-5-[6-[[4-(4-fluoro-2-pyridinyl)triazol-1-yl]methyl]-3-pyridinyl]-1,3,4-oxadiazole (PubChem CID 162443021) has the molecular formula C16H10F3N7O and a molecular weight of 373.30 g/mol. Its IUPAC name is 2-(difluoromethyl)-5-[6-[[4-(4-fluoro-2-pyridinyl)triazol-1-yl]methyl]-3-pyridinyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(difluoromethyl)-5-[6-[[4-(4-fluoro-2-pyridinyl)triazol-1-yl]methyl]-3-pyridinyl]-1,3,4-oxadiazole
PubChem CID162443021
Molecular FormulaC16H10F3N7O
Molecular Weight373.30 g/mol
Exact Mass373.09
IUPAC Name2-(difluoromethyl)-5-[6-[[4-(4-fluoro-2-pyridinyl)triazol-1-yl]methyl]-3-pyridinyl]-1,3,4-oxadiazole
SMILESFc1ccnc(-c2cn(Cc3ccc(-c4nnc(C(F)F)o4)cn3)nn2)c1
InChIInChI=1S/C16H10F3N7O/c17-10-3-4-20-12(5-10)13-8-26(25-22-13)7-11-2-1-9(6-21-11)15-23-24-16(27-15)14(18)19/h1-6,8,14H,7H2
InChIKeyHKDQEHUHJIWRKN-UHFFFAOYSA-N
XLogP2.91
TPSA95.41 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.30
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-5-[6-[[4-(4-fluoro-2-pyridinyl)triazol-1-yl]methyl]-3-pyridinyl]-1,3,4-oxadiazole?
The IUPAC name of 2-(difluoromethyl)-5-[6-[[4-(4-fluoro-2-pyridinyl)triazol-1-yl]methyl]-3-pyridinyl]-1,3,4-oxadiazole (CID 162443021) is 2-(difluoromethyl)-5-[6-[[4-(4-fluoro-2-pyridinyl)triazol-1-yl]methyl]-3-pyridinyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-(difluoromethyl)-5-[6-[[4-(4-fluoro-2-pyridinyl)triazol-1-yl]methyl]-3-pyridinyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-(difluoromethyl)-5-[6-[[4-(4-fluoro-2-pyridinyl)triazol-1-yl]methyl]-3-pyridinyl]-1,3,4-oxadiazole is Fc1ccnc(-c2cn(Cc3ccc(-c4nnc(C(F)F)o4)cn3)nn2)c1.
What is the InChIKey of 2-(difluoromethyl)-5-[6-[[4-(4-fluoro-2-pyridinyl)triazol-1-yl]methyl]-3-pyridinyl]-1,3,4-oxadiazole?
The InChIKey is HKDQEHUHJIWRKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10F3N7O/c17-10-3-4-20-12(5-10)13-8-26(25-22-13)7-11-2-1-9(6-21-11)15-23-24-16(27-15)14(18)19/h1-6,8,14H,7H2.
What are the key properties of 2-(difluoromethyl)-5-[6-[[4-(4-fluoro-2-pyridinyl)triazol-1-yl]methyl]-3-pyridinyl]-1,3,4-oxadiazole?
2-(difluoromethyl)-5-[6-[[4-(4-fluoro-2-pyridinyl)triazol-1-yl]methyl]-3-pyridinyl]-1,3,4-oxadiazole has a molecular weight of 373.30 g/mol, XLogP of 2.91, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-5-[6-[[4-(4-fluoro-2-pyridinyl)triazol-1-yl]methyl]-3-pyridinyl]-1,3,4-oxadiazole is sourced from PubChem (CID 162443021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).