3-[(2-chloro-6-fluorophenyl)methyl]-5-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-1,2,4-oxadiazole

C15H13ClFN5O — CID 56854202

IUPAC3-[(2-chloro-6-fluorophenyl)methyl]-5-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-1,2,4-oxadiazole
SMILESFc1cccc(Cl)c1Cc1noc(-c2nnc3n2CCCC3)n1
InChIInChI=1S/C15H13ClFN5O/c16-10-4-3-5-11(17)9(10)8-12-18-15(23-21-12)14-20-19-13-6-1-2-7-22(13)14/h3-5H,1-2,6-8H2
InChIKeyQPONCANUNMLABA-UHFFFAOYSA-N
MW333.75 g/mol
LogP3.05
Rot. Bonds3

About 3-[(2-chloro-6-fluorophenyl)methyl]-5-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-1,2,4-oxadiazole

3-[(2-chloro-6-fluorophenyl)methyl]-5-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-1,2,4-oxadiazole (PubChem CID 56854202) has the molecular formula C15H13ClFN5O and a molecular weight of 333.75 g/mol. Its IUPAC name is 3-[(2-chloro-6-fluorophenyl)methyl]-5-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[(2-chloro-6-fluorophenyl)methyl]-5-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-1,2,4-oxadiazole
PubChem CID56854202
Molecular FormulaC15H13ClFN5O
Molecular Weight333.75 g/mol
Exact Mass333.08
IUPAC Name3-[(2-chloro-6-fluorophenyl)methyl]-5-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-1,2,4-oxadiazole
SMILESFc1cccc(Cl)c1Cc1noc(-c2nnc3n2CCCC3)n1
InChIInChI=1S/C15H13ClFN5O/c16-10-4-3-5-11(17)9(10)8-12-18-15(23-21-12)14-20-19-13-6-1-2-7-22(13)14/h3-5H,1-2,6-8H2
InChIKeyQPONCANUNMLABA-UHFFFAOYSA-N
XLogP3.05
TPSA69.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.75
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-[(2-chloro-6-fluorophenyl)methyl]-5-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-1,2,4-oxadiazole with MolForge

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Related Compounds

4-[3-[(2-chloro-6-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-1,2,5-oxadiazol-3-amine
CID 63024030
5-[3-[(2-chloro-6-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]thiophen-2-amine
CID 63022649
5-[3-[(2-chloro-6-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-1H-pyrrole-2-carbonitrile
CID 136907998
1-[3-[(2-chloro-6-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine
CID 63021786
3-[(2-chloro-6-fluorophenyl)methyl]-5-[(2R)-pyrrolidin-2-yl]-1,2,4-oxadiazole
CID 104900536
3-[(2-chloro-6-fluorophenyl)methyl]-5-pyrrolidin-2-yl-1,2,4-oxadiazole
CID 63024370
N-[[3-[(2-chloro-6-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]ethanamine
CID 63022131
5-[(2-chloro-6-fluorophenyl)methyl]-3-(piperidin-3-ylmethyl)-1,2,4-oxadiazole
CID 63221648
3-[(2-chloro-6-fluorophenyl)methyl]-5-[(2R)-piperidin-2-yl]-1,2,4-oxadiazole
CID 104914918
2-[3-[(2-chloro-6-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 79798327
N-[[3-[(2-chloro-6-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]-2-methylpropan-2-amine
CID 63758295
4-chloro-2-[(2-chloro-6-fluorophenyl)methyl]-5,6,7,8-tetrahydroquinazoline
CID 63024377

Frequently Asked Questions

What is the IUPAC name of 3-[(2-chloro-6-fluorophenyl)methyl]-5-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-1,2,4-oxadiazole?
The IUPAC name of 3-[(2-chloro-6-fluorophenyl)methyl]-5-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-1,2,4-oxadiazole (CID 56854202) is 3-[(2-chloro-6-fluorophenyl)methyl]-5-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-[(2-chloro-6-fluorophenyl)methyl]-5-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-1,2,4-oxadiazole?
The canonical SMILES for 3-[(2-chloro-6-fluorophenyl)methyl]-5-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-1,2,4-oxadiazole is Fc1cccc(Cl)c1Cc1noc(-c2nnc3n2CCCC3)n1.
What is the InChIKey of 3-[(2-chloro-6-fluorophenyl)methyl]-5-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-1,2,4-oxadiazole?
The InChIKey is QPONCANUNMLABA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClFN5O/c16-10-4-3-5-11(17)9(10)8-12-18-15(23-21-12)14-20-19-13-6-1-2-7-22(13)14/h3-5H,1-2,6-8H2.
What are the key properties of 3-[(2-chloro-6-fluorophenyl)methyl]-5-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-1,2,4-oxadiazole?
3-[(2-chloro-6-fluorophenyl)methyl]-5-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-1,2,4-oxadiazole has a molecular weight of 333.75 g/mol, XLogP of 3.05, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-chloro-6-fluorophenyl)methyl]-5-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 56854202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).