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

C10H5Cl2N5O — CID 55153729

IUPAC5-(2,3-dichlorophenyl)-3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazole
SMILESClc1cccc(-c2nc(-c3ncn[nH]3)no2)c1Cl
InChIInChI=1S/C10H5Cl2N5O/c11-6-3-1-2-5(7(6)12)10-15-9(17-18-10)8-13-4-14-16-8/h1-4H,(H,13,14,16)
InChIKeyRCCDCVHHBIORGB-UHFFFAOYSA-N
MW282.09 g/mol
LogP2.83
Rot. Bonds2

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

5-(2,3-dichlorophenyl)-3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazole (PubChem CID 55153729) has the molecular formula C10H5Cl2N5O and a molecular weight of 282.09 g/mol. Its IUPAC name is 5-(2,3-dichlorophenyl)-3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(2,3-dichlorophenyl)-3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazole
PubChem CID55153729
Molecular FormulaC10H5Cl2N5O
Molecular Weight282.09 g/mol
Exact Mass280.99
IUPAC Name5-(2,3-dichlorophenyl)-3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazole
SMILESClc1cccc(-c2nc(-c3ncn[nH]3)no2)c1Cl
InChIInChI=1S/C10H5Cl2N5O/c11-6-3-1-2-5(7(6)12)10-15-9(17-18-10)8-13-4-14-16-8/h1-4H,(H,13,14,16)
InChIKeyRCCDCVHHBIORGB-UHFFFAOYSA-N
XLogP2.83
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.09
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(2-iodophenyl)-3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazole
CID 62945471
3-chloro-4-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]aniline
CID 61399080
5-(3-chloro-4-fluorophenyl)-3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazole
CID 81422502
5-(2-methylquinolin-4-yl)-3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazole
CID 62945467
3-fluoro-4-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]phenol
CID 137015366
5-(5-fluoro-2-methylphenyl)-3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazole
CID 63049328
5-(2-bromo-5-fluorophenyl)-3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazole
CID 62946120
5-(3-chloro-5-methylphenyl)-3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazole
CID 80979027
5-(4-ethylphenyl)-3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazole
CID 62944463
4-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]benzoic acid
CID 62924626
5-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine
CID 63259901
5-(5-bromo-2-pyridinyl)-3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazole
CID 62960473

Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dichlorophenyl)-3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazole?
The IUPAC name of 5-(2,3-dichlorophenyl)-3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazole (CID 55153729) is 5-(2,3-dichlorophenyl)-3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-(2,3-dichlorophenyl)-3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazole?
The canonical SMILES for 5-(2,3-dichlorophenyl)-3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazole is Clc1cccc(-c2nc(-c3ncn[nH]3)no2)c1Cl.
What is the InChIKey of 5-(2,3-dichlorophenyl)-3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazole?
The InChIKey is RCCDCVHHBIORGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5Cl2N5O/c11-6-3-1-2-5(7(6)12)10-15-9(17-18-10)8-13-4-14-16-8/h1-4H,(H,13,14,16).
What are the key properties of 5-(2,3-dichlorophenyl)-3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazole?
5-(2,3-dichlorophenyl)-3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazole has a molecular weight of 282.09 g/mol, XLogP of 2.83, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-dichlorophenyl)-3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 55153729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).