6-[dimethylamino(hydrazinyl)methyl]-3H-1,3-benzoxazol-2-one

C10H14N4O2 — CID 116914938

IUPAC6-[dimethylamino(hydrazinyl)methyl]-3H-1,3-benzoxazol-2-one
SMILESCN(C)C(NN)c1ccc2[nH]c(=O)oc2c1
InChIInChI=1S/C10H14N4O2/c1-14(2)9(13-11)6-3-4-7-8(5-6)16-10(15)12-7/h3-5,9,13H,11H2,1-2H3,(H,12,15)
InChIKeyLXOJZPZRFVLQCV-UHFFFAOYSA-N
MW222.25 g/mol
LogP0.14
Rot. Bonds3

About 6-[dimethylamino(hydrazinyl)methyl]-3H-1,3-benzoxazol-2-one

6-[dimethylamino(hydrazinyl)methyl]-3H-1,3-benzoxazol-2-one (PubChem CID 116914938) has the molecular formula C10H14N4O2 and a molecular weight of 222.25 g/mol. Its IUPAC name is 6-[dimethylamino(hydrazinyl)methyl]-3H-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name6-[dimethylamino(hydrazinyl)methyl]-3H-1,3-benzoxazol-2-one
PubChem CID116914938
Molecular FormulaC10H14N4O2
Molecular Weight222.25 g/mol
Exact Mass222.11
IUPAC Name6-[dimethylamino(hydrazinyl)methyl]-3H-1,3-benzoxazol-2-one
SMILESCN(C)C(NN)c1ccc2[nH]c(=O)oc2c1
InChIInChI=1S/C10H14N4O2/c1-14(2)9(13-11)6-3-4-7-8(5-6)16-10(15)12-7/h3-5,9,13H,11H2,1-2H3,(H,12,15)
InChIKeyLXOJZPZRFVLQCV-UHFFFAOYSA-N
XLogP0.14
TPSA87.29 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.25
LogP ≤ 50.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', '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-[4-amino-1-(dimethylamino)butyl]-3H-1,3-benzoxazol-2-one
CID 116905182
6-[1-amino-2-methyl-2-(methylamino)propyl]-3H-1,3-benzoxazol-2-one
CID 116938938
6-(1-amino-2-methylpropyl)-3H-1,3-benzoxazol-2-one
CID 43139983
6-(1,2-diaminoethyl)-3H-1,3-benzoxazol-2-one
CID 116855514
2-amino-N-methyl-2-(2-oxo-3H-1,3-benzoxazol-6-yl)acetohydrazide
CID 116848980
4-(dimethylamino)-4-(2-oxo-3H-1,3-benzoxazol-6-yl)butanenitrile
CID 116910115
6-(1-amino-2-methylpropyl)-3H-1,3-benzoxazol-2-one;hydrochloride
CID 54592974
6-(1-bromo-2-oxopropyl)-3H-1,3-benzoxazol-2-one
CID 116859829
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-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

Frequently Asked Questions

What is the IUPAC name of 6-[dimethylamino(hydrazinyl)methyl]-3H-1,3-benzoxazol-2-one?
The IUPAC name of 6-[dimethylamino(hydrazinyl)methyl]-3H-1,3-benzoxazol-2-one (CID 116914938) is 6-[dimethylamino(hydrazinyl)methyl]-3H-1,3-benzoxazol-2-one.
What is the SMILES notation for 6-[dimethylamino(hydrazinyl)methyl]-3H-1,3-benzoxazol-2-one?
The canonical SMILES for 6-[dimethylamino(hydrazinyl)methyl]-3H-1,3-benzoxazol-2-one is CN(C)C(NN)c1ccc2[nH]c(=O)oc2c1.
What is the InChIKey of 6-[dimethylamino(hydrazinyl)methyl]-3H-1,3-benzoxazol-2-one?
The InChIKey is LXOJZPZRFVLQCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O2/c1-14(2)9(13-11)6-3-4-7-8(5-6)16-10(15)12-7/h3-5,9,13H,11H2,1-2H3,(H,12,15).
What are the key properties of 6-[dimethylamino(hydrazinyl)methyl]-3H-1,3-benzoxazol-2-one?
6-[dimethylamino(hydrazinyl)methyl]-3H-1,3-benzoxazol-2-one has a molecular weight of 222.25 g/mol, XLogP of 0.14, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[dimethylamino(hydrazinyl)methyl]-3H-1,3-benzoxazol-2-one is sourced from PubChem (CID 116914938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).