N'-(2-nitrophenyl)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanehydrazide

C17H15N5O4 — CID 39969408

IUPACN'-(2-nitrophenyl)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanehydrazide
SMILESO=C(CCc1nc(-c2ccccc2)no1)NNc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C17H15N5O4/c23-15(20-19-13-8-4-5-9-14(13)22(24)25)10-11-16-18-17(21-26-16)12-6-2-1-3-7-12/h1-9,19H,10-11H2,(H,20,23)
InChIKeyADKJESCXQPWFFU-UHFFFAOYSA-N
MW353.34 g/mol
LogP2.72
Rot. Bonds7

About N'-(2-nitrophenyl)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanehydrazide

N'-(2-nitrophenyl)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanehydrazide (PubChem CID 39969408) has the molecular formula C17H15N5O4 and a molecular weight of 353.34 g/mol. Its IUPAC name is N'-(2-nitrophenyl)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanehydrazide.

Molecular Properties

Compound NameN'-(2-nitrophenyl)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanehydrazide
PubChem CID39969408
Molecular FormulaC17H15N5O4
Molecular Weight353.34 g/mol
Exact Mass353.11
IUPAC NameN'-(2-nitrophenyl)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanehydrazide
SMILESO=C(CCc1nc(-c2ccccc2)no1)NNc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C17H15N5O4/c23-15(20-19-13-8-4-5-9-14(13)22(24)25)10-11-16-18-17(21-26-16)12-6-2-1-3-7-12/h1-9,19H,10-11H2,(H,20,23)
InChIKeyADKJESCXQPWFFU-UHFFFAOYSA-N
XLogP2.72
TPSA123.19 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.34
LogP ≤ 52.72
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-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propanehydrazide
CID 55510710
3-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-(2-nitrophenyl)propanamide
CID 3485886
1-(2-fluorophenyl)-3-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanoylamino]thiourea
CID 9278302
N-benzhydryl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide
CID 9192496
3-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-(4-phenylphenyl)propanamide
CID 9192093
3-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-propylpropanamide
CID 3159509
4-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(2-nitrophenyl)butanamide
CID 2979926
4-[3-(2-nitrophenyl)-1,2,4-oxadiazol-5-yl]butan-2-one
CID 63344930
3-[3-(4-phenylphenyl)-1,2,4-oxadiazol-5-yl]-N-propan-2-ylpropanamide
CID 100762131
N-[2-(2-fluorophenyl)ethyl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide
CID 9474336
N-(4-methylphenyl)-3-[3-(4-phenylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 100762262
N-naphthalen-2-yl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide
CID 9191876

Frequently Asked Questions

What is the IUPAC name of N'-(2-nitrophenyl)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanehydrazide?
The IUPAC name of N'-(2-nitrophenyl)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanehydrazide (CID 39969408) is N'-(2-nitrophenyl)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanehydrazide.
What is the SMILES notation for N'-(2-nitrophenyl)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanehydrazide?
The canonical SMILES for N'-(2-nitrophenyl)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanehydrazide is O=C(CCc1nc(-c2ccccc2)no1)NNc1ccccc1[N+](=O)[O-].
What is the InChIKey of N'-(2-nitrophenyl)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanehydrazide?
The InChIKey is ADKJESCXQPWFFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N5O4/c23-15(20-19-13-8-4-5-9-14(13)22(24)25)10-11-16-18-17(21-26-16)12-6-2-1-3-7-12/h1-9,19H,10-11H2,(H,20,23).
What are the key properties of N'-(2-nitrophenyl)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanehydrazide?
N'-(2-nitrophenyl)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanehydrazide has a molecular weight of 353.34 g/mol, XLogP of 2.72, 7 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-phenyl-1,2,4-oxadiazol-5-yl)propanehydrazide is sourced from PubChem (CID 39969408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).