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

C10H12N4O3 — CID 116848980

IUPAC2-amino-N-methyl-2-(2-oxo-3H-1,3-benzoxazol-6-yl)acetohydrazide
SMILESCN(N)C(=O)C(N)c1ccc2[nH]c(=O)oc2c1
InChIInChI=1S/C10H12N4O3/c1-14(12)9(15)8(11)5-2-3-6-7(4-5)17-10(16)13-6/h2-4,8H,11-12H2,1H3,(H,13,16)
InChIKeyANABRQRKBXWJTN-UHFFFAOYSA-N
MW236.23 g/mol
LogP-0.55
Rot. Bonds2

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

2-amino-N-methyl-2-(2-oxo-3H-1,3-benzoxazol-6-yl)acetohydrazide (PubChem CID 116848980) has the molecular formula C10H12N4O3 and a molecular weight of 236.23 g/mol. Its IUPAC name is 2-amino-N-methyl-2-(2-oxo-3H-1,3-benzoxazol-6-yl)acetohydrazide.

Molecular Properties

Compound Name2-amino-N-methyl-2-(2-oxo-3H-1,3-benzoxazol-6-yl)acetohydrazide
PubChem CID116848980
Molecular FormulaC10H12N4O3
Molecular Weight236.23 g/mol
Exact Mass236.09
IUPAC Name2-amino-N-methyl-2-(2-oxo-3H-1,3-benzoxazol-6-yl)acetohydrazide
SMILESCN(N)C(=O)C(N)c1ccc2[nH]c(=O)oc2c1
InChIInChI=1S/C10H12N4O3/c1-14(12)9(15)8(11)5-2-3-6-7(4-5)17-10(16)13-6/h2-4,8H,11-12H2,1H3,(H,13,16)
InChIKeyANABRQRKBXWJTN-UHFFFAOYSA-N
XLogP-0.55
TPSA118.35 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.23
LogP ≤ 5-0.55
H-Bond Donors ≤ 53
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

6-(1-amino-2-methylpropyl)-3H-1,3-benzoxazol-2-one
CID 43139983
6-(1-bromo-2-oxopropyl)-3H-1,3-benzoxazol-2-one
CID 116859829
6-(1-amino-2-methylpropyl)-3H-1,3-benzoxazol-2-one;hydrochloride
CID 54592974
ethyl 2-[2-amino-2-(2-oxo-3H-1,3-benzoxazol-6-yl)ethoxy]acetate
CID 61328772
6-[dimethylamino(hydrazinyl)methyl]-3H-1,3-benzoxazol-2-one
CID 116914938
6-[1-amino-2-methyl-2-(methylamino)propyl]-3H-1,3-benzoxazol-2-one
CID 116938938
6-(1-methylsulfanylethyl)-3H-1,3-benzoxazol-2-one
CID 126621176
5-[amino(dimethylamino)methyl]-3H-1,3-benzoxazol-2-one
CID 116909138
6-(1,2-diaminoethyl)-3H-1,3-benzoxazol-2-one
CID 116855514
6-(1-amino-3-methylbutan-2-yl)-3H-1,3-benzoxazol-2-one
CID 82494013
6-[amino-(4-fluorophenyl)methyl]-3H-1,3-benzoxazol-2-one
CID 43140010
6-(1-hydroxy-2-oxobutyl)-3H-1,3-benzoxazol-2-one
CID 116835871

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-methyl-2-(2-oxo-3H-1,3-benzoxazol-6-yl)acetohydrazide?
The IUPAC name of 2-amino-N-methyl-2-(2-oxo-3H-1,3-benzoxazol-6-yl)acetohydrazide (CID 116848980) is 2-amino-N-methyl-2-(2-oxo-3H-1,3-benzoxazol-6-yl)acetohydrazide.
What is the SMILES notation for 2-amino-N-methyl-2-(2-oxo-3H-1,3-benzoxazol-6-yl)acetohydrazide?
The canonical SMILES for 2-amino-N-methyl-2-(2-oxo-3H-1,3-benzoxazol-6-yl)acetohydrazide is CN(N)C(=O)C(N)c1ccc2[nH]c(=O)oc2c1.
What is the InChIKey of 2-amino-N-methyl-2-(2-oxo-3H-1,3-benzoxazol-6-yl)acetohydrazide?
The InChIKey is ANABRQRKBXWJTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O3/c1-14(12)9(15)8(11)5-2-3-6-7(4-5)17-10(16)13-6/h2-4,8H,11-12H2,1H3,(H,13,16).
What are the key properties of 2-amino-N-methyl-2-(2-oxo-3H-1,3-benzoxazol-6-yl)acetohydrazide?
2-amino-N-methyl-2-(2-oxo-3H-1,3-benzoxazol-6-yl)acetohydrazide has a molecular weight of 236.23 g/mol, XLogP of -0.55, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-methyl-2-(2-oxo-3H-1,3-benzoxazol-6-yl)acetohydrazide is sourced from PubChem (CID 116848980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).