N'-(2-nitrophenyl)-3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propanehydrazide

C20H21N5O4 — CID 55510710

IUPACN'-(2-nitrophenyl)-3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propanehydrazide
SMILESCC(C)c1ccc(-c2noc(CCC(=O)NNc3ccccc3[N+](=O)[O-])n2)cc1
InChIInChI=1S/C20H21N5O4/c1-13(2)14-7-9-15(10-8-14)20-21-19(29-24-20)12-11-18(26)23-22-16-5-3-4-6-17(16)25(27)28/h3-10,13,22H,11-12H2,1-2H3,(H,23,26)
InChIKeyFALGDCWCUSIFDV-UHFFFAOYSA-N
MW395.42 g/mol
LogP3.84
Rot. Bonds8

About N'-(2-nitrophenyl)-3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propanehydrazide

N'-(2-nitrophenyl)-3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propanehydrazide (PubChem CID 55510710) has the molecular formula C20H21N5O4 and a molecular weight of 395.42 g/mol. Its IUPAC name is N'-(2-nitrophenyl)-3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propanehydrazide.

Molecular Properties

Compound NameN'-(2-nitrophenyl)-3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propanehydrazide
PubChem CID55510710
Molecular FormulaC20H21N5O4
Molecular Weight395.42 g/mol
Exact Mass395.16
IUPAC NameN'-(2-nitrophenyl)-3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propanehydrazide
SMILESCC(C)c1ccc(-c2noc(CCC(=O)NNc3ccccc3[N+](=O)[O-])n2)cc1
InChIInChI=1S/C20H21N5O4/c1-13(2)14-7-9-15(10-8-14)20-21-19(29-24-20)12-11-18(26)23-22-16-5-3-4-6-17(16)25(27)28/h3-10,13,22H,11-12H2,1-2H3,(H,23,26)
InChIKeyFALGDCWCUSIFDV-UHFFFAOYSA-N
XLogP3.84
TPSA123.19 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.42
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N'-(2-nitrophenyl)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanehydrazide
CID 39969408
3-[3-(4-phenylphenyl)-1,2,4-oxadiazol-5-yl]-N-(4-propan-2-ylphenyl)propanamide
CID 100762308
3-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-(2-nitrophenyl)propanamide
CID 3485886
3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]-N-pyridin-2-ylpropanamide
CID 31113619
N-[(2-chlorophenyl)methyl]-3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 30329305
3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]-N-propylpropanamide
CID 18148189
N-(2,6-diethylphenyl)-3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 31078421
N-[2-(morpholine-4-carbonyl)phenyl]-3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 35330593
N-(2-phenylbutyl)-3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 46512546
N-(3-aminopropyl)-3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 119406004
N-(5-amino-2-methylphenyl)-3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 120568275
2-[3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propanoylamino]butanoic acid
CID 119223600

Frequently Asked Questions

What is the IUPAC name of N'-(2-nitrophenyl)-3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propanehydrazide?
The IUPAC name of N'-(2-nitrophenyl)-3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propanehydrazide (CID 55510710) is N'-(2-nitrophenyl)-3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propanehydrazide.
What is the SMILES notation for N'-(2-nitrophenyl)-3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propanehydrazide?
The canonical SMILES for N'-(2-nitrophenyl)-3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propanehydrazide is CC(C)c1ccc(-c2noc(CCC(=O)NNc3ccccc3[N+](=O)[O-])n2)cc1.
What is the InChIKey of N'-(2-nitrophenyl)-3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propanehydrazide?
The InChIKey is FALGDCWCUSIFDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O4/c1-13(2)14-7-9-15(10-8-14)20-21-19(29-24-20)12-11-18(26)23-22-16-5-3-4-6-17(16)25(27)28/h3-10,13,22H,11-12H2,1-2H3,(H,23,26).
What are the key properties of N'-(2-nitrophenyl)-3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propanehydrazide?
N'-(2-nitrophenyl)-3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propanehydrazide has a molecular weight of 395.42 g/mol, XLogP of 3.84, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-nitrophenyl)-3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propanehydrazide is sourced from PubChem (CID 55510710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).