5-chloro-2-(difluoromethoxy)-N'-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)benzohydrazide

C15H10ClF2N5O3 — CID 166223773

IUPAC5-chloro-2-(difluoromethoxy)-N'-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)benzohydrazide
SMILESO=C(NNc1nc(-c2ccncc2)no1)c1cc(Cl)ccc1OC(F)F
InChIInChI=1S/C15H10ClF2N5O3/c16-9-1-2-11(25-14(17)18)10(7-9)13(24)21-22-15-20-12(23-26-15)8-3-5-19-6-4-8/h1-7,14H,(H,21,24)(H,20,22,23)
InChIKeyHRKSYDGOEICMKR-UHFFFAOYSA-N
MW381.73 g/mol
LogP3.14
Rot. Bonds6

About 5-chloro-2-(difluoromethoxy)-N'-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)benzohydrazide

5-chloro-2-(difluoromethoxy)-N'-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)benzohydrazide (PubChem CID 166223773) has the molecular formula C15H10ClF2N5O3 and a molecular weight of 381.73 g/mol. Its IUPAC name is 5-chloro-2-(difluoromethoxy)-N'-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)benzohydrazide.

Molecular Properties

Compound Name5-chloro-2-(difluoromethoxy)-N'-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)benzohydrazide
PubChem CID166223773
Molecular FormulaC15H10ClF2N5O3
Molecular Weight381.73 g/mol
Exact Mass381.04
IUPAC Name5-chloro-2-(difluoromethoxy)-N'-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)benzohydrazide
SMILESO=C(NNc1nc(-c2ccncc2)no1)c1cc(Cl)ccc1OC(F)F
InChIInChI=1S/C15H10ClF2N5O3/c16-9-1-2-11(25-14(17)18)10(7-9)13(24)21-22-15-20-12(23-26-15)8-3-5-19-6-4-8/h1-7,14H,(H,21,24)(H,20,22,23)
InChIKeyHRKSYDGOEICMKR-UHFFFAOYSA-N
XLogP3.14
TPSA102.17 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.73
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 5-chloro-2-(difluoromethoxy)-N'-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)benzohydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(difluoromethoxy)-N'-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)benzohydrazide?
The IUPAC name of 5-chloro-2-(difluoromethoxy)-N'-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)benzohydrazide (CID 166223773) is 5-chloro-2-(difluoromethoxy)-N'-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)benzohydrazide.
What is the SMILES notation for 5-chloro-2-(difluoromethoxy)-N'-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)benzohydrazide?
The canonical SMILES for 5-chloro-2-(difluoromethoxy)-N'-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)benzohydrazide is O=C(NNc1nc(-c2ccncc2)no1)c1cc(Cl)ccc1OC(F)F.
What is the InChIKey of 5-chloro-2-(difluoromethoxy)-N'-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)benzohydrazide?
The InChIKey is HRKSYDGOEICMKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClF2N5O3/c16-9-1-2-11(25-14(17)18)10(7-9)13(24)21-22-15-20-12(23-26-15)8-3-5-19-6-4-8/h1-7,14H,(H,21,24)(H,20,22,23).
What are the key properties of 5-chloro-2-(difluoromethoxy)-N'-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)benzohydrazide?
5-chloro-2-(difluoromethoxy)-N'-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)benzohydrazide has a molecular weight of 381.73 g/mol, XLogP of 3.14, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(difluoromethoxy)-N'-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)benzohydrazide is sourced from PubChem (CID 166223773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).