4-(5-nitro-2-oxo-1,3-benzoxazol-3-yl)pentanehydrazide

C12H14N4O5 — CID 63579033

IUPAC4-(5-nitro-2-oxo-1,3-benzoxazol-3-yl)pentanehydrazide
SMILESCC(CCC(=O)NN)n1c(=O)oc2ccc([N+](=O)[O-])cc21
InChIInChI=1S/C12H14N4O5/c1-7(2-5-11(17)14-13)15-9-6-8(16(19)20)3-4-10(9)21-12(15)18/h3-4,6-7H,2,5,13H2,1H3,(H,14,17)
InChIKeyRNMVKVJDRFYPMG-UHFFFAOYSA-N
MW294.27 g/mol
LogP0.83
Rot. Bonds5

About 4-(5-nitro-2-oxo-1,3-benzoxazol-3-yl)pentanehydrazide

4-(5-nitro-2-oxo-1,3-benzoxazol-3-yl)pentanehydrazide (PubChem CID 63579033) has the molecular formula C12H14N4O5 and a molecular weight of 294.27 g/mol. Its IUPAC name is 4-(5-nitro-2-oxo-1,3-benzoxazol-3-yl)pentanehydrazide.

Molecular Properties

Compound Name4-(5-nitro-2-oxo-1,3-benzoxazol-3-yl)pentanehydrazide
PubChem CID63579033
Molecular FormulaC12H14N4O5
Molecular Weight294.27 g/mol
Exact Mass294.10
IUPAC Name4-(5-nitro-2-oxo-1,3-benzoxazol-3-yl)pentanehydrazide
SMILESCC(CCC(=O)NN)n1c(=O)oc2ccc([N+](=O)[O-])cc21
InChIInChI=1S/C12H14N4O5/c1-7(2-5-11(17)14-13)15-9-6-8(16(19)20)3-4-10(9)21-12(15)18/h3-4,6-7H,2,5,13H2,1H3,(H,14,17)
InChIKeyRNMVKVJDRFYPMG-UHFFFAOYSA-N
XLogP0.83
TPSA133.40 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.27
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

4-(5-nitro-2-oxo-1,3-benzoxazol-3-yl)pentanoic acid
CID 62213269
2-(5-nitro-2-oxo-1,3-benzoxazol-3-yl)acetohydrazide
CID 63578672
5-nitro-3-(3-oxobutan-2-yl)-1,3-benzoxazol-2-one
CID 62025249
N-(2-methylpropylcarbamoyl)-2-(5-nitro-2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 35354487
5-nitro-3-(2-oxobutyl)-1,3-benzoxazol-2-one
CID 62040396
N-[1-(4-bromophenyl)ethyl]-2-(5-nitro-2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 43056633
N-[2-methyl-1-(4-propan-2-ylphenyl)propyl]-2-(5-nitro-2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 42948686
5-nitro-3-(4-oxohexyl)-1,3-benzoxazol-2-one
CID 106801710
N-[3-(5-nitro-2-oxo-1,3-benzoxazol-3-yl)propyl]methanesulfonamide
CID 86851415
N-methyl-2-(5-nitro-2-oxo-1,3-benzoxazol-3-yl)-N-(1-phenylethyl)acetamide
CID 43055048
5-nitro-3-[3-(5-nitro-2-oxo-1,3-benzoxazol-3-yl)propyl]-1,3-benzoxazol-2-one
CID 86964767
N-[(2S)-1-aminopropan-2-yl]-4-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)butanamide
CID 120505501

Frequently Asked Questions

What is the IUPAC name of 4-(5-nitro-2-oxo-1,3-benzoxazol-3-yl)pentanehydrazide?
The IUPAC name of 4-(5-nitro-2-oxo-1,3-benzoxazol-3-yl)pentanehydrazide (CID 63579033) is 4-(5-nitro-2-oxo-1,3-benzoxazol-3-yl)pentanehydrazide.
What is the SMILES notation for 4-(5-nitro-2-oxo-1,3-benzoxazol-3-yl)pentanehydrazide?
The canonical SMILES for 4-(5-nitro-2-oxo-1,3-benzoxazol-3-yl)pentanehydrazide is CC(CCC(=O)NN)n1c(=O)oc2ccc([N+](=O)[O-])cc21.
What is the InChIKey of 4-(5-nitro-2-oxo-1,3-benzoxazol-3-yl)pentanehydrazide?
The InChIKey is RNMVKVJDRFYPMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O5/c1-7(2-5-11(17)14-13)15-9-6-8(16(19)20)3-4-10(9)21-12(15)18/h3-4,6-7H,2,5,13H2,1H3,(H,14,17).
What are the key properties of 4-(5-nitro-2-oxo-1,3-benzoxazol-3-yl)pentanehydrazide?
4-(5-nitro-2-oxo-1,3-benzoxazol-3-yl)pentanehydrazide has a molecular weight of 294.27 g/mol, XLogP of 0.83, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-nitro-2-oxo-1,3-benzoxazol-3-yl)pentanehydrazide is sourced from PubChem (CID 63579033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).