N'-[2-(2,6-dimethylphenoxy)acetyl]-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanehydrazide

C22H24N4O4 — CID 9087609

IUPACN'-[2-(2,6-dimethylphenoxy)acetyl]-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanehydrazide
SMILESCc1ccc(-c2noc(CCC(=O)NNC(=O)COc3c(C)cccc3C)n2)cc1
InChIInChI=1S/C22H24N4O4/c1-14-7-9-17(10-8-14)22-23-20(30-26-22)12-11-18(27)24-25-19(28)13-29-21-15(2)5-4-6-16(21)3/h4-10H,11-13H2,1-3H3,(H,24,27)(H,25,28)
InChIKeyGRLLSARZXCIFDL-UHFFFAOYSA-N
MW408.46 g/mol
LogP2.82
Rot. Bonds7

About N'-[2-(2,6-dimethylphenoxy)acetyl]-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanehydrazide

N'-[2-(2,6-dimethylphenoxy)acetyl]-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanehydrazide (PubChem CID 9087609) has the molecular formula C22H24N4O4 and a molecular weight of 408.46 g/mol. Its IUPAC name is N'-[2-(2,6-dimethylphenoxy)acetyl]-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanehydrazide.

Molecular Properties

Compound NameN'-[2-(2,6-dimethylphenoxy)acetyl]-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanehydrazide
PubChem CID9087609
Molecular FormulaC22H24N4O4
Molecular Weight408.46 g/mol
Exact Mass408.18
IUPAC NameN'-[2-(2,6-dimethylphenoxy)acetyl]-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanehydrazide
SMILESCc1ccc(-c2noc(CCC(=O)NNC(=O)COc3c(C)cccc3C)n2)cc1
InChIInChI=1S/C22H24N4O4/c1-14-7-9-17(10-8-14)22-23-20(30-26-22)12-11-18(27)24-25-19(28)13-29-21-15(2)5-4-6-16(21)3/h4-10H,11-13H2,1-3H3,(H,24,27)(H,25,28)
InChIKeyGRLLSARZXCIFDL-UHFFFAOYSA-N
XLogP2.82
TPSA106.35 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.46
LogP ≤ 52.82
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

3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-phenylpropanamide
CID 3826214
(2,6-dimethylphenyl) 3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanoate
CID 9192024
2-(2-methoxyphenoxy)-N-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]acetamide
CID 39867676
3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N'-[2-(4-methylanilino)acetyl]propanehydrazide
CID 55407391
N-(4-methylphenyl)-3-[3-(4-phenylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 100762262
N-(3-hydroxy-2-pyridinyl)-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 18109571
N'-[2-(2,6-dimethylphenoxy)acetyl]-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanehydrazide
CID 43039178
N-[3-(3-methylphenoxy)propyl]-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 24525020
N'-[3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanoyl]-1,3-benzodioxole-5-carbohydrazide
CID 9084711
2-methyl-N'-[3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanoyl]imidazo[1,2-a]pyridine-3-carbohydrazide
CID 24541624
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

Frequently Asked Questions

What is the IUPAC name of N'-[2-(2,6-dimethylphenoxy)acetyl]-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanehydrazide?
The IUPAC name of N'-[2-(2,6-dimethylphenoxy)acetyl]-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanehydrazide (CID 9087609) is N'-[2-(2,6-dimethylphenoxy)acetyl]-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanehydrazide.
What is the SMILES notation for N'-[2-(2,6-dimethylphenoxy)acetyl]-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanehydrazide?
The canonical SMILES for N'-[2-(2,6-dimethylphenoxy)acetyl]-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanehydrazide is Cc1ccc(-c2noc(CCC(=O)NNC(=O)COc3c(C)cccc3C)n2)cc1.
What is the InChIKey of N'-[2-(2,6-dimethylphenoxy)acetyl]-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanehydrazide?
The InChIKey is GRLLSARZXCIFDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O4/c1-14-7-9-17(10-8-14)22-23-20(30-26-22)12-11-18(27)24-25-19(28)13-29-21-15(2)5-4-6-16(21)3/h4-10H,11-13H2,1-3H3,(H,24,27)(H,25,28).
What are the key properties of N'-[2-(2,6-dimethylphenoxy)acetyl]-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanehydrazide?
N'-[2-(2,6-dimethylphenoxy)acetyl]-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanehydrazide has a molecular weight of 408.46 g/mol, XLogP of 2.82, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(2,6-dimethylphenoxy)acetyl]-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanehydrazide is sourced from PubChem (CID 9087609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).