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

C17H14ClN5O3 — CID 41467160

IUPAC4-chloro-N'-[3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanoyl]benzohydrazide
SMILESO=C(CCc1nc(-c2ccncc2)no1)NNC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C17H14ClN5O3/c18-13-3-1-12(2-4-13)17(25)22-21-14(24)5-6-15-20-16(23-26-15)11-7-9-19-10-8-11/h1-4,7-10H,5-6H2,(H,21,24)(H,22,25)
InChIKeyFOWABZGSEZRNBL-UHFFFAOYSA-N
MW371.78 g/mol
LogP2.18
Rot. Bonds5

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

4-chloro-N'-[3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanoyl]benzohydrazide (PubChem CID 41467160) has the molecular formula C17H14ClN5O3 and a molecular weight of 371.78 g/mol. Its IUPAC name is 4-chloro-N'-[3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanoyl]benzohydrazide.

Molecular Properties

Compound Name4-chloro-N'-[3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanoyl]benzohydrazide
PubChem CID41467160
Molecular FormulaC17H14ClN5O3
Molecular Weight371.78 g/mol
Exact Mass371.08
IUPAC Name4-chloro-N'-[3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanoyl]benzohydrazide
SMILESO=C(CCc1nc(-c2ccncc2)no1)NNC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C17H14ClN5O3/c18-13-3-1-12(2-4-13)17(25)22-21-14(24)5-6-15-20-16(23-26-15)11-7-9-19-10-8-11/h1-4,7-10H,5-6H2,(H,21,24)(H,22,25)
InChIKeyFOWABZGSEZRNBL-UHFFFAOYSA-N
XLogP2.18
TPSA110.01 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.78
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N'-[3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]propanoyl]-4-(dimethylamino)benzohydrazide
CID 2797349
N-(4-chlorophenyl)-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 41466780
3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)-N'-(2,4,6-trichlorophenyl)propanehydrazide
CID 41466930
N'-[3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]propanoyl]quinoline-2-carbohydrazide
CID 35069467
N-methylsulfonyl-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 146154109
4-(1H-benzimidazol-2-ylsulfanylmethyl)-N'-[3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanoyl]benzohydrazide
CID 30238564
N-[1-(2,4-dichlorophenyl)ethyl]-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 46508453
N-(3-methylbutan-2-yl)-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 43042868
(2R)-2-[3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanoylamino]propanoic acid
CID 119369964
N-(4-tert-butylphenyl)-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 17436492
N'-(4-chlorobenzoyl)-4-pyridin-4-ylbenzohydrazide
CID 58858336
N-(5-methyl-1,2-oxazol-3-yl)-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 31340196

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N'-[3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanoyl]benzohydrazide?
The IUPAC name of 4-chloro-N'-[3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanoyl]benzohydrazide (CID 41467160) is 4-chloro-N'-[3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanoyl]benzohydrazide.
What is the SMILES notation for 4-chloro-N'-[3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanoyl]benzohydrazide?
The canonical SMILES for 4-chloro-N'-[3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanoyl]benzohydrazide is O=C(CCc1nc(-c2ccncc2)no1)NNC(=O)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N'-[3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanoyl]benzohydrazide?
The InChIKey is FOWABZGSEZRNBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClN5O3/c18-13-3-1-12(2-4-13)17(25)22-21-14(24)5-6-15-20-16(23-26-15)11-7-9-19-10-8-11/h1-4,7-10H,5-6H2,(H,21,24)(H,22,25).
What are the key properties of 4-chloro-N'-[3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanoyl]benzohydrazide?
4-chloro-N'-[3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanoyl]benzohydrazide has a molecular weight of 371.78 g/mol, XLogP of 2.18, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N'-[3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanoyl]benzohydrazide is sourced from PubChem (CID 41467160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).