3-nitro-N'-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanoyl]benzohydrazide

C16H19N5O5 — CID 55752242

IUPAC3-nitro-N'-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanoyl]benzohydrazide
SMILESCC(C)c1noc(CCCC(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)n1
InChIInChI=1S/C16H19N5O5/c1-10(2)15-17-14(26-20-15)8-4-7-13(22)18-19-16(23)11-5-3-6-12(9-11)21(24)25/h3,5-6,9-10H,4,7-8H2,1-2H3,(H,18,22)(H,19,23)
InChIKeyRQGHPWRIWHSCLH-UHFFFAOYSA-N
MW361.36 g/mol
LogP1.89
Rot. Bonds7

About 3-nitro-N'-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanoyl]benzohydrazide

3-nitro-N'-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanoyl]benzohydrazide (PubChem CID 55752242) has the molecular formula C16H19N5O5 and a molecular weight of 361.36 g/mol. Its IUPAC name is 3-nitro-N'-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanoyl]benzohydrazide.

Molecular Properties

Compound Name3-nitro-N'-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanoyl]benzohydrazide
PubChem CID55752242
Molecular FormulaC16H19N5O5
Molecular Weight361.36 g/mol
Exact Mass361.14
IUPAC Name3-nitro-N'-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanoyl]benzohydrazide
SMILESCC(C)c1noc(CCCC(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)n1
InChIInChI=1S/C16H19N5O5/c1-10(2)15-17-14(26-20-15)8-4-7-13(22)18-19-16(23)11-5-3-6-12(9-11)21(24)25/h3,5-6,9-10H,4,7-8H2,1-2H3,(H,18,22)(H,19,23)
InChIKeyRQGHPWRIWHSCLH-UHFFFAOYSA-N
XLogP1.89
TPSA140.26 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.36
LogP ≤ 51.89
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

3-nitro-N'-tetradecanoylbenzohydrazide
CID 54791907
N'-(3-methylbutanoyl)-3-nitrobenzohydrazide
CID 9333812
N'-[2-(4-methylanilino)acetyl]-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanehydrazide
CID 56504264
N'-[3-(4-methoxyphenyl)propanoyl]-3-nitrobenzohydrazide
CID 26533874
N'-[5-(4-bromophenyl)pentanoyl]-3-nitrobenzohydrazide
CID 55752300
1,5-diphenyl-N'-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanoyl]-1,2,4-triazole-3-carbohydrazide
CID 55666200
N'-(2-bromopropanoyl)-3-nitrobenzohydrazide
CID 3797916
N'-(2-methoxyacetyl)-3-nitrobenzohydrazide
CID 17386589
N'-(3-ethoxypropanoyl)-3-nitrobenzohydrazide
CID 17357857
4-butoxy-3-methoxy-N'-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanoyl]benzohydrazide
CID 46437778
4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[1-(3-nitrophenyl)ethyl]butanamide
CID 55877491
N'-[3-(3-bromophenyl)propanoyl]-3-nitrobenzohydrazide
CID 78774211

Frequently Asked Questions

What is the IUPAC name of 3-nitro-N'-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanoyl]benzohydrazide?
The IUPAC name of 3-nitro-N'-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanoyl]benzohydrazide (CID 55752242) is 3-nitro-N'-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanoyl]benzohydrazide.
What is the SMILES notation for 3-nitro-N'-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanoyl]benzohydrazide?
The canonical SMILES for 3-nitro-N'-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanoyl]benzohydrazide is CC(C)c1noc(CCCC(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)n1.
What is the InChIKey of 3-nitro-N'-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanoyl]benzohydrazide?
The InChIKey is RQGHPWRIWHSCLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O5/c1-10(2)15-17-14(26-20-15)8-4-7-13(22)18-19-16(23)11-5-3-6-12(9-11)21(24)25/h3,5-6,9-10H,4,7-8H2,1-2H3,(H,18,22)(H,19,23).
What are the key properties of 3-nitro-N'-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanoyl]benzohydrazide?
3-nitro-N'-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanoyl]benzohydrazide has a molecular weight of 361.36 g/mol, XLogP of 1.89, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-nitro-N'-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanoyl]benzohydrazide is sourced from PubChem (CID 55752242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).