3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N'-ethyl-N'-(4-methylphenyl)propanehydrazide

C20H21ClN4O2 — CID 9183218

IUPAC3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N'-ethyl-N'-(4-methylphenyl)propanehydrazide
SMILESCCN(NC(=O)CCc1nc(-c2ccc(Cl)cc2)no1)c1ccc(C)cc1
InChIInChI=1S/C20H21ClN4O2/c1-3-25(17-10-4-14(2)5-11-17)23-18(26)12-13-19-22-20(24-27-19)15-6-8-16(21)9-7-15/h4-11H,3,12-13H2,1-2H3,(H,23,26)
InChIKeyVVJBIDYEWGNSMH-UHFFFAOYSA-N
MW384.87 g/mol
LogP4.19
Rot. Bonds7

About 3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N'-ethyl-N'-(4-methylphenyl)propanehydrazide

3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N'-ethyl-N'-(4-methylphenyl)propanehydrazide (PubChem CID 9183218) has the molecular formula C20H21ClN4O2 and a molecular weight of 384.87 g/mol. Its IUPAC name is 3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N'-ethyl-N'-(4-methylphenyl)propanehydrazide.

Molecular Properties

Compound Name3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N'-ethyl-N'-(4-methylphenyl)propanehydrazide
PubChem CID9183218
Molecular FormulaC20H21ClN4O2
Molecular Weight384.87 g/mol
Exact Mass384.14
IUPAC Name3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N'-ethyl-N'-(4-methylphenyl)propanehydrazide
SMILESCCN(NC(=O)CCc1nc(-c2ccc(Cl)cc2)no1)c1ccc(C)cc1
InChIInChI=1S/C20H21ClN4O2/c1-3-25(17-10-4-14(2)5-11-17)23-18(26)12-13-19-22-20(24-27-19)15-6-8-16(21)9-7-15/h4-11H,3,12-13H2,1-2H3,(H,23,26)
InChIKeyVVJBIDYEWGNSMH-UHFFFAOYSA-N
XLogP4.19
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.87
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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
3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[(2R)-pentan-2-yl]propanamide
CID 99641746
diethyl 2-[3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]propanoylamino]propanedioate
CID 33247967
3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[2-(ethylamino)ethyl]propanamide
CID 119505234
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-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide
CID 51098095
3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[3-(dimethylamino)propyl]propanamide
CID 110330836
(2S)-2-[3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]propanoylamino]-N-ethylpropanamide
CID 9470716
N-[(2S)-butan-2-yl]-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 41098778
3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-pentan-2-ylpropanamide
CID 18092722
(2R)-2-[3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]propanoylamino]-N-propylpropanamide
CID 9227893
N-[1-(4-chlorophenyl)ethyl]-N-methyl-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 46588539

Frequently Asked Questions

What is the IUPAC name of 3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N'-ethyl-N'-(4-methylphenyl)propanehydrazide?
The IUPAC name of 3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N'-ethyl-N'-(4-methylphenyl)propanehydrazide (CID 9183218) is 3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N'-ethyl-N'-(4-methylphenyl)propanehydrazide.
What is the SMILES notation for 3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N'-ethyl-N'-(4-methylphenyl)propanehydrazide?
The canonical SMILES for 3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N'-ethyl-N'-(4-methylphenyl)propanehydrazide is CCN(NC(=O)CCc1nc(-c2ccc(Cl)cc2)no1)c1ccc(C)cc1.
What is the InChIKey of 3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N'-ethyl-N'-(4-methylphenyl)propanehydrazide?
The InChIKey is VVJBIDYEWGNSMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN4O2/c1-3-25(17-10-4-14(2)5-11-17)23-18(26)12-13-19-22-20(24-27-19)15-6-8-16(21)9-7-15/h4-11H,3,12-13H2,1-2H3,(H,23,26).
What are the key properties of 3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N'-ethyl-N'-(4-methylphenyl)propanehydrazide?
3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N'-ethyl-N'-(4-methylphenyl)propanehydrazide has a molecular weight of 384.87 g/mol, XLogP of 4.19, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N'-ethyl-N'-(4-methylphenyl)propanehydrazide is sourced from PubChem (CID 9183218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).