3-(3,5-dichlorophenyl)-5-(1,2,4-triazol-1-ylmethyl)-1,2,4-oxadiazole

C11H7Cl2N5O — CID 110170443

IUPAC3-(3,5-dichlorophenyl)-5-(1,2,4-triazol-1-ylmethyl)-1,2,4-oxadiazole
SMILESClc1cc(Cl)cc(-c2noc(Cn3cncn3)n2)c1
InChIInChI=1S/C11H7Cl2N5O/c12-8-1-7(2-9(13)3-8)11-16-10(19-17-11)4-18-6-14-5-15-18/h1-3,5-6H,4H2
InChIKeyLMOJRVRLONIRIT-UHFFFAOYSA-N
MW296.12 g/mol
LogP2.68
Rot. Bonds3

About 3-(3,5-dichlorophenyl)-5-(1,2,4-triazol-1-ylmethyl)-1,2,4-oxadiazole

3-(3,5-dichlorophenyl)-5-(1,2,4-triazol-1-ylmethyl)-1,2,4-oxadiazole (PubChem CID 110170443) has the molecular formula C11H7Cl2N5O and a molecular weight of 296.12 g/mol. Its IUPAC name is 3-(3,5-dichlorophenyl)-5-(1,2,4-triazol-1-ylmethyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(3,5-dichlorophenyl)-5-(1,2,4-triazol-1-ylmethyl)-1,2,4-oxadiazole
PubChem CID110170443
Molecular FormulaC11H7Cl2N5O
Molecular Weight296.12 g/mol
Exact Mass295.00
IUPAC Name3-(3,5-dichlorophenyl)-5-(1,2,4-triazol-1-ylmethyl)-1,2,4-oxadiazole
SMILESClc1cc(Cl)cc(-c2noc(Cn3cncn3)n2)c1
InChIInChI=1S/C11H7Cl2N5O/c12-8-1-7(2-9(13)3-8)11-16-10(19-17-11)4-18-6-14-5-15-18/h1-3,5-6H,4H2
InChIKeyLMOJRVRLONIRIT-UHFFFAOYSA-N
XLogP2.68
TPSA69.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.12
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-(4-chlorophenyl)-5-(1,2,4-triazol-1-ylmethyl)-1,2,4-oxadiazole
CID 16736460
3-[3-chloro-4-(1,2,4-triazol-1-ylmethyl)phenyl]-5-(trifluoromethyl)-1,2,4-oxadiazole
CID 139532593
1-[3-(3,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]butan-2-ol
CID 114015751
1-[3-(3,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]-3-methylbutan-2-amine
CID 107917723
1-[[3-(3,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]cyclobutan-1-amine
CID 104880712
2-[[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-5-(1,2,4-triazol-1-ylmethyl)-1,3,4-oxadiazole
CID 60602055
3-[3-fluoro-4-(1,2,4-triazol-1-ylmethyl)phenyl]-5-(trifluoromethyl)-1,2,4-oxadiazole
CID 139532683
3-(azepan-2-yl)-5-(1,2,4-triazol-1-ylmethyl)-1,2,4-oxadiazole
CID 103972106
3-(3-chlorophenyl)-5-[[5-(3-chlorophenyl)tetrazol-2-yl]methyl]-1,2,4-oxadiazole
CID 17490289
1-[3-(3,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine
CID 107917796
2-[[3-(3,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]morpholine
CID 104880695
(2R)-4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(1,2,4-triazol-1-ylmethyl)morpholine
CID 95350971

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dichlorophenyl)-5-(1,2,4-triazol-1-ylmethyl)-1,2,4-oxadiazole?
The IUPAC name of 3-(3,5-dichlorophenyl)-5-(1,2,4-triazol-1-ylmethyl)-1,2,4-oxadiazole (CID 110170443) is 3-(3,5-dichlorophenyl)-5-(1,2,4-triazol-1-ylmethyl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-(3,5-dichlorophenyl)-5-(1,2,4-triazol-1-ylmethyl)-1,2,4-oxadiazole?
The canonical SMILES for 3-(3,5-dichlorophenyl)-5-(1,2,4-triazol-1-ylmethyl)-1,2,4-oxadiazole is Clc1cc(Cl)cc(-c2noc(Cn3cncn3)n2)c1.
What is the InChIKey of 3-(3,5-dichlorophenyl)-5-(1,2,4-triazol-1-ylmethyl)-1,2,4-oxadiazole?
The InChIKey is LMOJRVRLONIRIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7Cl2N5O/c12-8-1-7(2-9(13)3-8)11-16-10(19-17-11)4-18-6-14-5-15-18/h1-3,5-6H,4H2.
What are the key properties of 3-(3,5-dichlorophenyl)-5-(1,2,4-triazol-1-ylmethyl)-1,2,4-oxadiazole?
3-(3,5-dichlorophenyl)-5-(1,2,4-triazol-1-ylmethyl)-1,2,4-oxadiazole has a molecular weight of 296.12 g/mol, XLogP of 2.68, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dichlorophenyl)-5-(1,2,4-triazol-1-ylmethyl)-1,2,4-oxadiazole is sourced from PubChem (CID 110170443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).