3-methyl-2-oxo-1,3-benzoxazole-6-carbohydrazide

C9H9N3O3 — CID 116843326

IUPAC3-methyl-2-oxo-1,3-benzoxazole-6-carbohydrazide
SMILESCn1c(=O)oc2cc(C(=O)NN)ccc21
InChIInChI=1S/C9H9N3O3/c1-12-6-3-2-5(8(13)11-10)4-7(6)15-9(12)14/h2-4H,10H2,1H3,(H,11,13)
InChIKeyBNHSUWXAHWBWPS-UHFFFAOYSA-N
MW207.19 g/mol
LogP-0.26
Rot. Bonds1

About 3-methyl-2-oxo-1,3-benzoxazole-6-carbohydrazide

3-methyl-2-oxo-1,3-benzoxazole-6-carbohydrazide (PubChem CID 116843326) has the molecular formula C9H9N3O3 and a molecular weight of 207.19 g/mol. Its IUPAC name is 3-methyl-2-oxo-1,3-benzoxazole-6-carbohydrazide.

Molecular Properties

Compound Name3-methyl-2-oxo-1,3-benzoxazole-6-carbohydrazide
PubChem CID116843326
Molecular FormulaC9H9N3O3
Molecular Weight207.19 g/mol
Exact Mass207.06
IUPAC Name3-methyl-2-oxo-1,3-benzoxazole-6-carbohydrazide
SMILESCn1c(=O)oc2cc(C(=O)NN)ccc21
InChIInChI=1S/C9H9N3O3/c1-12-6-3-2-5(8(13)11-10)4-7(6)15-9(12)14/h2-4H,10H2,1H3,(H,11,13)
InChIKeyBNHSUWXAHWBWPS-UHFFFAOYSA-N
XLogP-0.26
TPSA90.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.19
LogP ≤ 5-0.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(2-acetamidoethyl)-3-methyl-2-oxo-1,3-benzoxazole-6-carboxamide
CID 110766529
methyl 3-methyl-2-oxo-1,3-benzoxazole-6-carboxylate
CID 15122885
N-benzyl-3-methyl-2-oxo-1,3-benzoxazole-6-carboxamide
CID 110766483
2-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)acetohydrazide
CID 116843407
3-methyl-6-[2-(methylamino)acetyl]-1,3-benzoxazol-2-one
CID 13038876
N-(4-acetylphenyl)-3-methyl-2-oxo-1,3-benzoxazole-6-carboxamide
CID 110766586
ethyl 2-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-2-oxoacetate
CID 55054066
N-(4-fluorophenyl)-3-methyl-2-oxo-1,3-benzoxazole-6-carboxamide
CID 110766557
6-(4-aminobutanoyl)-3-methyl-1,3-benzoxazol-2-one
CID 82341275
6-(2,2-dimethylpropanoyl)-3-methyl-1,3-benzoxazol-2-one
CID 62275157
N-(4-ethoxyphenyl)-3-methyl-2-oxo-1,3-benzoxazole-6-carboxamide
CID 110766573
2-amino-3-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-3-oxopropanoic acid
CID 116920547

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-oxo-1,3-benzoxazole-6-carbohydrazide?
The IUPAC name of 3-methyl-2-oxo-1,3-benzoxazole-6-carbohydrazide (CID 116843326) is 3-methyl-2-oxo-1,3-benzoxazole-6-carbohydrazide.
What is the SMILES notation for 3-methyl-2-oxo-1,3-benzoxazole-6-carbohydrazide?
The canonical SMILES for 3-methyl-2-oxo-1,3-benzoxazole-6-carbohydrazide is Cn1c(=O)oc2cc(C(=O)NN)ccc21.
What is the InChIKey of 3-methyl-2-oxo-1,3-benzoxazole-6-carbohydrazide?
The InChIKey is BNHSUWXAHWBWPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O3/c1-12-6-3-2-5(8(13)11-10)4-7(6)15-9(12)14/h2-4H,10H2,1H3,(H,11,13).
What are the key properties of 3-methyl-2-oxo-1,3-benzoxazole-6-carbohydrazide?
3-methyl-2-oxo-1,3-benzoxazole-6-carbohydrazide has a molecular weight of 207.19 g/mol, XLogP of -0.26, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-oxo-1,3-benzoxazole-6-carbohydrazide is sourced from PubChem (CID 116843326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).