5-(2-chloro-5-fluorophenyl)-3-(3-ethyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1,2,4-oxadiazole

C16H11ClFN5O — CID 53173325

IUPAC5-(2-chloro-5-fluorophenyl)-3-(3-ethyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1,2,4-oxadiazole
SMILESCCc1nnc2ccc(-c3noc(-c4cc(F)ccc4Cl)n3)cn12
InChIInChI=1S/C16H11ClFN5O/c1-2-13-20-21-14-6-3-9(8-23(13)14)15-19-16(24-22-15)11-7-10(18)4-5-12(11)17/h3-8H,2H2,1H3
InChIKeyMSKHWOYZMMJVPB-UHFFFAOYSA-N
MW343.75 g/mol
LogP3.80
Rot. Bonds3

About 5-(2-chloro-5-fluorophenyl)-3-(3-ethyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1,2,4-oxadiazole

5-(2-chloro-5-fluorophenyl)-3-(3-ethyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1,2,4-oxadiazole (PubChem CID 53173325) has the molecular formula C16H11ClFN5O and a molecular weight of 343.75 g/mol. Its IUPAC name is 5-(2-chloro-5-fluorophenyl)-3-(3-ethyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(2-chloro-5-fluorophenyl)-3-(3-ethyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1,2,4-oxadiazole
PubChem CID53173325
Molecular FormulaC16H11ClFN5O
Molecular Weight343.75 g/mol
Exact Mass343.06
IUPAC Name5-(2-chloro-5-fluorophenyl)-3-(3-ethyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1,2,4-oxadiazole
SMILESCCc1nnc2ccc(-c3noc(-c4cc(F)ccc4Cl)n3)cn12
InChIInChI=1S/C16H11ClFN5O/c1-2-13-20-21-14-6-3-9(8-23(13)14)15-19-16(24-22-15)11-7-10(18)4-5-12(11)17/h3-8H,2H2,1H3
InChIKeyMSKHWOYZMMJVPB-UHFFFAOYSA-N
XLogP3.80
TPSA69.11 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.75
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-(3-chlorophenyl)-3-(3-ethyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1,2,4-oxadiazole
CID 53173299
N-[4-[3-(3-ethyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1,2,4-oxadiazol-5-yl]phenyl]acetamide
CID 53173305
5-[5-(2-chloro-4-fluorophenyl)-1,2,4-oxadiazol-3-yl]-1-methylpyridin-2-one
CID 83274036
5-(2-methylphenyl)-3-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1,2,4-oxadiazole
CID 53173292
4-fluoro-2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]aniline
CID 43514752
ethane;3-ethyl-6-(4-fluorophenyl)sulfanyl-[1,2,4]triazolo[4,3-a]pyridine
CID 142932355
3-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-5-(2-propan-2-ylphenyl)-1,2,4-oxadiazole
CID 167833882
2-chloro-5-[3-(4-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]aniline
CID 81260859
3-[3-(3-bromo-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-4-chloroaniline
CID 82788705
3-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]-4-chloroaniline
CID 60862549
2-[3-(2,6-dimethyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]-4-fluoroaniline
CID 107501948
3-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-5-thiophen-2-yl-1,2,4-oxadiazole
CID 53173247

Frequently Asked Questions

What is the IUPAC name of 5-(2-chloro-5-fluorophenyl)-3-(3-ethyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1,2,4-oxadiazole?
The IUPAC name of 5-(2-chloro-5-fluorophenyl)-3-(3-ethyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1,2,4-oxadiazole (CID 53173325) is 5-(2-chloro-5-fluorophenyl)-3-(3-ethyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-(2-chloro-5-fluorophenyl)-3-(3-ethyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1,2,4-oxadiazole?
The canonical SMILES for 5-(2-chloro-5-fluorophenyl)-3-(3-ethyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1,2,4-oxadiazole is CCc1nnc2ccc(-c3noc(-c4cc(F)ccc4Cl)n3)cn12.
What is the InChIKey of 5-(2-chloro-5-fluorophenyl)-3-(3-ethyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1,2,4-oxadiazole?
The InChIKey is MSKHWOYZMMJVPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClFN5O/c1-2-13-20-21-14-6-3-9(8-23(13)14)15-19-16(24-22-15)11-7-10(18)4-5-12(11)17/h3-8H,2H2,1H3.
What are the key properties of 5-(2-chloro-5-fluorophenyl)-3-(3-ethyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1,2,4-oxadiazole?
5-(2-chloro-5-fluorophenyl)-3-(3-ethyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1,2,4-oxadiazole has a molecular weight of 343.75 g/mol, XLogP of 3.80, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chloro-5-fluorophenyl)-3-(3-ethyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 53173325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).