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

C20H20ClN5O3 — CID 2797349

IUPACN'-[3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]propanoyl]-4-(dimethylamino)benzohydrazide
SMILESCN(C)c1ccc(C(=O)NNC(=O)CCc2nc(-c3ccc(Cl)cc3)no2)cc1
InChIInChI=1S/C20H20ClN5O3/c1-26(2)16-9-5-14(6-10-16)20(28)24-23-17(27)11-12-18-22-19(25-29-18)13-3-7-15(21)8-4-13/h3-10H,11-12H2,1-2H3,(H,23,27)(H,24,28)
InChIKeyBFKGRJZABCORPX-UHFFFAOYSA-N
MW413.87 g/mol
LogP2.85
Rot. Bonds6

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

N'-[3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]propanoyl]-4-(dimethylamino)benzohydrazide (PubChem CID 2797349) has the molecular formula C20H20ClN5O3 and a molecular weight of 413.87 g/mol. Its IUPAC name is N'-[3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]propanoyl]-4-(dimethylamino)benzohydrazide.

Molecular Properties

Compound NameN'-[3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]propanoyl]-4-(dimethylamino)benzohydrazide
PubChem CID2797349
Molecular FormulaC20H20ClN5O3
Molecular Weight413.87 g/mol
Exact Mass413.13
IUPAC NameN'-[3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]propanoyl]-4-(dimethylamino)benzohydrazide
SMILESCN(C)c1ccc(C(=O)NNC(=O)CCc2nc(-c3ccc(Cl)cc3)no2)cc1
InChIInChI=1S/C20H20ClN5O3/c1-26(2)16-9-5-14(6-10-16)20(28)24-23-17(27)11-12-18-22-19(25-29-18)13-3-7-15(21)8-4-13/h3-10H,11-12H2,1-2H3,(H,23,27)(H,24,28)
InChIKeyBFKGRJZABCORPX-UHFFFAOYSA-N
XLogP2.85
TPSA100.36 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.87
LogP ≤ 52.85
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

4-chloro-N'-[3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanoyl]benzohydrazide
CID 41467160
3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N'-ethyl-N'-(4-methylphenyl)propanehydrazide
CID 9183218
N'-[3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]propanoyl]quinoline-2-carbohydrazide
CID 35069467
3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[3-(dimethylamino)propyl]propanamide
CID 110330836
N'-[3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanoyl]-1,3-benzodioxole-5-carbohydrazide
CID 9084711
N-[4-(dimethylamino)phenyl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide
CID 110330622
3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-prop-2-ynylpropanamide
CID 18110149
3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[(2R)-pentan-2-yl]propanamide
CID 99641746
3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[[4-[2-(dimethylamino)ethyl]phenyl]methyl]propanamide
CID 86805920
3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[2-(ethylamino)ethyl]propanamide
CID 119505234
5-chloro-N'-[3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]propanoyl]-2-hydroxybenzohydrazide
CID 55585823
3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[2-(methylamino)propyl]propanamide
CID 120828775

Frequently Asked Questions

What is the IUPAC name of N'-[3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]propanoyl]-4-(dimethylamino)benzohydrazide?
The IUPAC name of N'-[3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]propanoyl]-4-(dimethylamino)benzohydrazide (CID 2797349) is N'-[3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]propanoyl]-4-(dimethylamino)benzohydrazide.
What is the SMILES notation for N'-[3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]propanoyl]-4-(dimethylamino)benzohydrazide?
The canonical SMILES for N'-[3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]propanoyl]-4-(dimethylamino)benzohydrazide is CN(C)c1ccc(C(=O)NNC(=O)CCc2nc(-c3ccc(Cl)cc3)no2)cc1.
What is the InChIKey of N'-[3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]propanoyl]-4-(dimethylamino)benzohydrazide?
The InChIKey is BFKGRJZABCORPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN5O3/c1-26(2)16-9-5-14(6-10-16)20(28)24-23-17(27)11-12-18-22-19(25-29-18)13-3-7-15(21)8-4-13/h3-10H,11-12H2,1-2H3,(H,23,27)(H,24,28).
What are the key properties of N'-[3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]propanoyl]-4-(dimethylamino)benzohydrazide?
N'-[3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]propanoyl]-4-(dimethylamino)benzohydrazide has a molecular weight of 413.87 g/mol, XLogP of 2.85, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]propanoyl]-4-(dimethylamino)benzohydrazide is sourced from PubChem (CID 2797349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).