2-[(E)-2-[4-(2-chlorophenyl)-5-(5-chloro-2-pyridinyl)-1,2,4-triazol-3-yl]ethenyl]-5-(2-methoxy-4-pyridinyl)-1,3,4-oxadiazole

C23H15Cl2N7O2 — CID 57378507

IUPAC2-[(E)-2-[4-(2-chlorophenyl)-5-(5-chloro-2-pyridinyl)-1,2,4-triazol-3-yl]ethenyl]-5-(2-methoxy-4-pyridinyl)-1,3,4-oxadiazole
SMILESCOc1cc(-c2nnc(/C=C/c3nnc(-c4ccc(Cl)cn4)n3-c3ccccc3Cl)o2)ccn1
InChIInChI=1S/C23H15Cl2N7O2/c1-33-21-12-14(10-11-26-21)23-31-29-20(34-23)9-8-19-28-30-22(17-7-6-15(24)13-27-17)32(19)18-5-3-2-4-16(18)25/h2-13H,1H3/b9-8+
InChIKeyAPEFLKVUZXCFFP-CMDGGOBGSA-N
MW492.33 g/mol
LogP5.26
Rot. Bonds6

About 2-[(E)-2-[4-(2-chlorophenyl)-5-(5-chloro-2-pyridinyl)-1,2,4-triazol-3-yl]ethenyl]-5-(2-methoxy-4-pyridinyl)-1,3,4-oxadiazole

2-[(E)-2-[4-(2-chlorophenyl)-5-(5-chloro-2-pyridinyl)-1,2,4-triazol-3-yl]ethenyl]-5-(2-methoxy-4-pyridinyl)-1,3,4-oxadiazole (PubChem CID 57378507) has the molecular formula C23H15Cl2N7O2 and a molecular weight of 492.33 g/mol. Its IUPAC name is 2-[(E)-2-[4-(2-chlorophenyl)-5-(5-chloro-2-pyridinyl)-1,2,4-triazol-3-yl]ethenyl]-5-(2-methoxy-4-pyridinyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[(E)-2-[4-(2-chlorophenyl)-5-(5-chloro-2-pyridinyl)-1,2,4-triazol-3-yl]ethenyl]-5-(2-methoxy-4-pyridinyl)-1,3,4-oxadiazole
PubChem CID57378507
Molecular FormulaC23H15Cl2N7O2
Molecular Weight492.33 g/mol
Exact Mass491.07
IUPAC Name2-[(E)-2-[4-(2-chlorophenyl)-5-(5-chloro-2-pyridinyl)-1,2,4-triazol-3-yl]ethenyl]-5-(2-methoxy-4-pyridinyl)-1,3,4-oxadiazole
SMILESCOc1cc(-c2nnc(/C=C/c3nnc(-c4ccc(Cl)cn4)n3-c3ccccc3Cl)o2)ccn1
InChIInChI=1S/C23H15Cl2N7O2/c1-33-21-12-14(10-11-26-21)23-31-29-20(34-23)9-8-19-28-30-22(17-7-6-15(24)13-27-17)32(19)18-5-3-2-4-16(18)25/h2-13H,1H3/b9-8+
InChIKeyAPEFLKVUZXCFFP-CMDGGOBGSA-N
XLogP5.26
TPSA104.64 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.33
LogP ≤ 55.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 2-[(E)-2-[4-(2-chlorophenyl)-5-(5-chloro-2-pyridinyl)-1,2,4-triazol-3-yl]ethenyl]-5-(2-methoxy-4-pyridinyl)-1,3,4-oxadiazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-[4-(2-chlorophenyl)-5-(5-chloro-2-pyridinyl)-1,2,4-triazol-3-yl]ethenyl]-5-(2-methoxy-4-pyridinyl)-1,3,4-oxadiazole?
The IUPAC name of 2-[(E)-2-[4-(2-chlorophenyl)-5-(5-chloro-2-pyridinyl)-1,2,4-triazol-3-yl]ethenyl]-5-(2-methoxy-4-pyridinyl)-1,3,4-oxadiazole (CID 57378507) is 2-[(E)-2-[4-(2-chlorophenyl)-5-(5-chloro-2-pyridinyl)-1,2,4-triazol-3-yl]ethenyl]-5-(2-methoxy-4-pyridinyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-[(E)-2-[4-(2-chlorophenyl)-5-(5-chloro-2-pyridinyl)-1,2,4-triazol-3-yl]ethenyl]-5-(2-methoxy-4-pyridinyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-[(E)-2-[4-(2-chlorophenyl)-5-(5-chloro-2-pyridinyl)-1,2,4-triazol-3-yl]ethenyl]-5-(2-methoxy-4-pyridinyl)-1,3,4-oxadiazole is COc1cc(-c2nnc(/C=C/c3nnc(-c4ccc(Cl)cn4)n3-c3ccccc3Cl)o2)ccn1.
What is the InChIKey of 2-[(E)-2-[4-(2-chlorophenyl)-5-(5-chloro-2-pyridinyl)-1,2,4-triazol-3-yl]ethenyl]-5-(2-methoxy-4-pyridinyl)-1,3,4-oxadiazole?
The InChIKey is APEFLKVUZXCFFP-CMDGGOBGSA-N. The full InChI is InChI=1S/C23H15Cl2N7O2/c1-33-21-12-14(10-11-26-21)23-31-29-20(34-23)9-8-19-28-30-22(17-7-6-15(24)13-27-17)32(19)18-5-3-2-4-16(18)25/h2-13H,1H3/b9-8+.
What are the key properties of 2-[(E)-2-[4-(2-chlorophenyl)-5-(5-chloro-2-pyridinyl)-1,2,4-triazol-3-yl]ethenyl]-5-(2-methoxy-4-pyridinyl)-1,3,4-oxadiazole?
2-[(E)-2-[4-(2-chlorophenyl)-5-(5-chloro-2-pyridinyl)-1,2,4-triazol-3-yl]ethenyl]-5-(2-methoxy-4-pyridinyl)-1,3,4-oxadiazole has a molecular weight of 492.33 g/mol, XLogP of 5.26, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-[4-(2-chlorophenyl)-5-(5-chloro-2-pyridinyl)-1,2,4-triazol-3-yl]ethenyl]-5-(2-methoxy-4-pyridinyl)-1,3,4-oxadiazole is sourced from PubChem (CID 57378507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).