2-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)acetohydrazide

C10H11N3O3 — CID 116843407

IUPAC2-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)acetohydrazide
SMILESCn1c(=O)oc2cc(CC(=O)NN)ccc21
InChIInChI=1S/C10H11N3O3/c1-13-7-3-2-6(5-9(14)12-11)4-8(7)16-10(13)15/h2-4H,5,11H2,1H3,(H,12,14)
InChIKeyAWRBKKWXJABVRO-UHFFFAOYSA-N
MW221.22 g/mol
LogP-0.34
Rot. Bonds2

About 2-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)acetohydrazide

2-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)acetohydrazide (PubChem CID 116843407) has the molecular formula C10H11N3O3 and a molecular weight of 221.22 g/mol. Its IUPAC name is 2-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)acetohydrazide.

Molecular Properties

Compound Name2-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)acetohydrazide
PubChem CID116843407
Molecular FormulaC10H11N3O3
Molecular Weight221.22 g/mol
Exact Mass221.08
IUPAC Name2-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)acetohydrazide
SMILESCn1c(=O)oc2cc(CC(=O)NN)ccc21
InChIInChI=1S/C10H11N3O3/c1-13-7-3-2-6(5-9(14)12-11)4-8(7)16-10(13)15/h2-4H,5,11H2,1H3,(H,12,14)
InChIKeyAWRBKKWXJABVRO-UHFFFAOYSA-N
XLogP-0.34
TPSA90.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.22
LogP ≤ 5-0.34
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

3-methyl-2-oxo-1,3-benzoxazole-6-carbohydrazide
CID 116843326
3,3-dimethyl-N-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)methyl]butanamide
CID 110786656
3-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)methylamino]-3-oxopropanoic acid
CID 115163423
2-chloro-N-[2-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)ethyl]acetamide
CID 115162152
6-(2-amino-2-methylpropyl)-3-methyl-1,3-benzoxazol-2-one
CID 82494051
3-chloro-N-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)methyl]propanamide
CID 115162532
N-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)methyl]-2-oxopropanamide
CID 115175681
2-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)methylamino]-2-oxoacetic acid
CID 115141348
N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-2-(4-methylphenyl)acetamide
CID 110662181
N'-methyl-4-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)butanehydrazide
CID 116846543
3-methyl-6-[(3-oxobutylamino)methyl]-1,3-benzoxazol-2-one
CID 115235713
2-amino-3-hydroxy-N-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)methyl]propanamide
CID 115179895

Frequently Asked Questions

What is the IUPAC name of 2-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)acetohydrazide?
The IUPAC name of 2-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)acetohydrazide (CID 116843407) is 2-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)acetohydrazide.
What is the SMILES notation for 2-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)acetohydrazide?
The canonical SMILES for 2-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)acetohydrazide is Cn1c(=O)oc2cc(CC(=O)NN)ccc21.
What is the InChIKey of 2-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)acetohydrazide?
The InChIKey is AWRBKKWXJABVRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O3/c1-13-7-3-2-6(5-9(14)12-11)4-8(7)16-10(13)15/h2-4H,5,11H2,1H3,(H,12,14).
What are the key properties of 2-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)acetohydrazide?
2-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)acetohydrazide has a molecular weight of 221.22 g/mol, XLogP of -0.34, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)acetohydrazide is sourced from PubChem (CID 116843407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).