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

C21H21BrN4O4 — CID 46628155

IUPAC2-(3-bromophenoxy)-N'-[3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanoyl]propanehydrazide
SMILESCc1ccc(-c2nnc(CCC(=O)NNC(=O)C(C)Oc3cccc(Br)c3)o2)cc1
InChIInChI=1S/C21H21BrN4O4/c1-13-6-8-15(9-7-13)21-26-24-19(30-21)11-10-18(27)23-25-20(28)14(2)29-17-5-3-4-16(22)12-17/h3-9,12,14H,10-11H2,1-2H3,(H,23,27)(H,25,28)
InChIKeyAFQSBSYKQJTMQD-UHFFFAOYSA-N
MW473.33 g/mol
LogP3.36
Rot. Bonds7

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

2-(3-bromophenoxy)-N'-[3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanoyl]propanehydrazide (PubChem CID 46628155) has the molecular formula C21H21BrN4O4 and a molecular weight of 473.33 g/mol. Its IUPAC name is 2-(3-bromophenoxy)-N'-[3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanoyl]propanehydrazide.

Molecular Properties

Compound Name2-(3-bromophenoxy)-N'-[3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanoyl]propanehydrazide
PubChem CID46628155
Molecular FormulaC21H21BrN4O4
Molecular Weight473.33 g/mol
Exact Mass472.07
IUPAC Name2-(3-bromophenoxy)-N'-[3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanoyl]propanehydrazide
SMILESCc1ccc(-c2nnc(CCC(=O)NNC(=O)C(C)Oc3cccc(Br)c3)o2)cc1
InChIInChI=1S/C21H21BrN4O4/c1-13-6-8-15(9-7-13)21-26-24-19(30-21)11-10-18(27)23-25-20(28)14(2)29-17-5-3-4-16(22)12-17/h3-9,12,14H,10-11H2,1-2H3,(H,23,27)(H,25,28)
InChIKeyAFQSBSYKQJTMQD-UHFFFAOYSA-N
XLogP3.36
TPSA106.35 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.33
LogP ≤ 53.36
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

2-(3-bromophenoxy)-N'-[3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)propanoyl]propanehydrazide
CID 55678624
(2R)-2-(3-bromophenoxy)-N'-(3-pyridin-3-ylpropanoyl)propanehydrazide
CID 9154957
2-(3-bromophenoxy)-N'-(2-phenoxyacetyl)propanehydrazide
CID 51161488
N'-[2-(3-bromophenoxy)propanoyl]-4-(4-methoxyphenoxy)butanehydrazide
CID 55347940
(2R)-2-(3-bromophenoxy)-N'-(2-methylsulfanylacetyl)propanehydrazide
CID 9370776
N'-[2-(2-fluorophenoxy)acetyl]-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanehydrazide
CID 9085872
N'-[2-(3-bromophenoxy)propanoyl]-2-methylbutanehydrazide
CID 43042560
N'-[3-(benzenesulfonyl)propanoyl]-2-(3-bromophenoxy)propanehydrazide
CID 4791447
(2R)-2-(3-bromophenoxy)-N'-[2-(3-fluorophenyl)acetyl]propanehydrazide
CID 9371318
N-(3-bromophenyl)-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide
CID 29199706
(2R)-2-(3-bromophenoxy)-N'-[2-(3,4-dimethylphenyl)acetyl]propanehydrazide
CID 9370726
(2R)-2-(3-bromophenoxy)-N'-[3-(2,5-dioxopyrrolidin-1-yl)propanoyl]propanehydrazide
CID 9154984

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenoxy)-N'-[3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanoyl]propanehydrazide?
The IUPAC name of 2-(3-bromophenoxy)-N'-[3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanoyl]propanehydrazide (CID 46628155) is 2-(3-bromophenoxy)-N'-[3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanoyl]propanehydrazide.
What is the SMILES notation for 2-(3-bromophenoxy)-N'-[3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanoyl]propanehydrazide?
The canonical SMILES for 2-(3-bromophenoxy)-N'-[3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanoyl]propanehydrazide is Cc1ccc(-c2nnc(CCC(=O)NNC(=O)C(C)Oc3cccc(Br)c3)o2)cc1.
What is the InChIKey of 2-(3-bromophenoxy)-N'-[3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanoyl]propanehydrazide?
The InChIKey is AFQSBSYKQJTMQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21BrN4O4/c1-13-6-8-15(9-7-13)21-26-24-19(30-21)11-10-18(27)23-25-20(28)14(2)29-17-5-3-4-16(22)12-17/h3-9,12,14H,10-11H2,1-2H3,(H,23,27)(H,25,28).
What are the key properties of 2-(3-bromophenoxy)-N'-[3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanoyl]propanehydrazide?
2-(3-bromophenoxy)-N'-[3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanoyl]propanehydrazide has a molecular weight of 473.33 g/mol, XLogP of 3.36, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenoxy)-N'-[3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanoyl]propanehydrazide is sourced from PubChem (CID 46628155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).