2-[(Z)-2-[3-(3-chloro-5-propan-2-yloxyphenyl)-1,2,4-triazol-1-yl]ethenyl]-1,3,4-oxadiazole;(Z)-3-[3-(3-chloro-5-propan-2-yloxyphenyl)-1,2,4-triazol-1-yl]prop-2-enehydrazide

C29H30Cl2N10O4 — CID 161006929

About 2-[(Z)-2-[3-(3-chloro-5-propan-2-yloxyphenyl)-1,2,4-triazol-1-yl]ethenyl]-1,3,4-oxadiazole;(Z)-3-[3-(3-chloro-5-propan-2-yloxyphenyl)-1,2,4-triazol-1-yl]prop-2-enehydrazide

2-[(Z)-2-[3-(3-chloro-5-propan-2-yloxyphenyl)-1,2,4-triazol-1-yl]ethenyl]-1,3,4-oxadiazole;(Z)-3-[3-(3-chloro-5-propan-2-yloxyphenyl)-1,2,4-triazol-1-yl]prop-2-enehydrazide (PubChem CID 161006929) has the molecular formula C29H30Cl2N10O4 and a molecular weight of 653.53 g/mol. Its IUPAC name is 2-[(Z)-2-[3-(3-chloro-5-propan-2-yloxyphenyl)-1,2,4-triazol-1-yl]ethenyl]-1,3,4-oxadiazole;(Z)-3-[3-(3-chloro-5-propan-2-yloxyphenyl)-1,2,4-triazol-1-yl]prop-2-enehydrazide.

Molecular Properties

• Compound Name: 2-[(Z)-2-[3-(3-chloro-5-propan-2-yloxyphenyl)-1,2,4-triazol-1-yl]ethenyl]-1,3,4-oxadiazole;(Z)-3-[3-(3-chloro-5-propan-2-yloxyphenyl)-1,2,4-triazol-1-yl]prop-2-enehydrazide
• PubChem CID: 161006929
• Molecular Formula: C29H30Cl2N10O4
• Molecular Weight: 653.53 g/mol
• Exact Mass: 652.18
• IUPAC Name: 2-[(Z)-2-[3-(3-chloro-5-propan-2-yloxyphenyl)-1,2,4-triazol-1-yl]ethenyl]-1,3,4-oxadiazole;(Z)-3-[3-(3-chloro-5-propan-2-yloxyphenyl)-1,2,4-triazol-1-yl]prop-2-enehydrazide
• SMILES: CC(C)Oc1cc(Cl)cc(-c2ncn(/C=C\C(=O)NN)n2)c1.CC(C)Oc1cc(Cl)cc(-c2ncn(/C=C\c3nnco3)n2)c1
• InChI: InChI=1S/C15H14ClN5O2.C14H16ClN5O2/c1-10(2)23-13-6-11(5-12(16)7-13)15-17-8-21(20-15)4-3-14-19-18-9-22-14;1-9(2)22-12-6-10(5-11(15)7-12)14-17-8-20(19-14)4-3-13(21)18-16/h3-10H,1-2H3;3-9H,16H2,1-2H3,(H,18,21)/b2*4-3-
• InChIKey: TWPVWNZFYODUPH-CHNJZELVSA-N
• XLogP: 5.24
• TPSA: 173.92 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 13
• Rotatable Bonds: 10
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	653.53
LogP ≤ 5	5.24
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-2-[3-(3-chloro-5-propan-2-yloxyphenyl)-1,2,4-triazol-1-yl]ethenyl]-1,3,4-oxadiazole;(Z)-3-[3-(3-chloro-5-propan-2-yloxyphenyl)-1,2,4-triazol-1-yl]prop-2-enehydrazide?

The IUPAC name of 2-[(Z)-2-[3-(3-chloro-5-propan-2-yloxyphenyl)-1,2,4-triazol-1-yl]ethenyl]-1,3,4-oxadiazole;(Z)-3-[3-(3-chloro-5-propan-2-yloxyphenyl)-1,2,4-triazol-1-yl]prop-2-enehydrazide (CID 161006929) is 2-[(Z)-2-[3-(3-chloro-5-propan-2-yloxyphenyl)-1,2,4-triazol-1-yl]ethenyl]-1,3,4-oxadiazole;(Z)-3-[3-(3-chloro-5-propan-2-yloxyphenyl)-1,2,4-triazol-1-yl]prop-2-enehydrazide.

What is the SMILES notation for 2-[(Z)-2-[3-(3-chloro-5-propan-2-yloxyphenyl)-1,2,4-triazol-1-yl]ethenyl]-1,3,4-oxadiazole;(Z)-3-[3-(3-chloro-5-propan-2-yloxyphenyl)-1,2,4-triazol-1-yl]prop-2-enehydrazide?

The canonical SMILES for 2-[(Z)-2-[3-(3-chloro-5-propan-2-yloxyphenyl)-1,2,4-triazol-1-yl]ethenyl]-1,3,4-oxadiazole;(Z)-3-[3-(3-chloro-5-propan-2-yloxyphenyl)-1,2,4-triazol-1-yl]prop-2-enehydrazide is CC(C)Oc1cc(Cl)cc(-c2ncn(/C=C\C(=O)NN)n2)c1.CC(C)Oc1cc(Cl)cc(-c2ncn(/C=C\c3nnco3)n2)c1.

What is the InChIKey of 2-[(Z)-2-[3-(3-chloro-5-propan-2-yloxyphenyl)-1,2,4-triazol-1-yl]ethenyl]-1,3,4-oxadiazole;(Z)-3-[3-(3-chloro-5-propan-2-yloxyphenyl)-1,2,4-triazol-1-yl]prop-2-enehydrazide?

The InChIKey is TWPVWNZFYODUPH-CHNJZELVSA-N. The full InChI is InChI=1S/C15H14ClN5O2.C14H16ClN5O2/c1-10(2)23-13-6-11(5-12(16)7-13)15-17-8-21(20-15)4-3-14-19-18-9-22-14;1-9(2)22-12-6-10(5-11(15)7-12)14-17-8-20(19-14)4-3-13(21)18-16/h3-10H,1-2H3;3-9H,16H2,1-2H3,(H,18,21)/b2*4-3-.

What are the key properties of 2-[(Z)-2-[3-(3-chloro-5-propan-2-yloxyphenyl)-1,2,4-triazol-1-yl]ethenyl]-1,3,4-oxadiazole;(Z)-3-[3-(3-chloro-5-propan-2-yloxyphenyl)-1,2,4-triazol-1-yl]prop-2-enehydrazide?

2-[(Z)-2-[3-(3-chloro-5-propan-2-yloxyphenyl)-1,2,4-triazol-1-yl]ethenyl]-1,3,4-oxadiazole;(Z)-3-[3-(3-chloro-5-propan-2-yloxyphenyl)-1,2,4-triazol-1-yl]prop-2-enehydrazide has a molecular weight of 653.53 g/mol, XLogP of 5.24, 10 rotatable bonds, 2 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(Z)-2-[3-(3-chloro-5-propan-2-yloxyphenyl)-1,2,4-triazol-1-yl]ethenyl]-1,3,4-oxadiazole;(Z)-3-[3-(3-chloro-5-propan-2-yloxyphenyl)-1,2,4-triazol-1-yl]prop-2-enehydrazide is sourced from PubChem (CID 161006929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).