N'-hydroxy-2-(2-oxo-1,3-benzoxazol-3-yl)ethanimidamide

C9H9N3O3 — CID 44721311

IUPACN'-hydroxy-2-(2-oxo-1,3-benzoxazol-3-yl)ethanimidamide
SMILESN/C(Cn1c(=O)oc2ccccc21)=N\O
InChIInChI=1S/C9H9N3O3/c10-8(11-14)5-12-6-3-1-2-4-7(6)15-9(12)13/h1-4,14H,5H2,(H2,10,11)
InChIKeyYQBLNMICYQAGMO-UHFFFAOYSA-N
MW207.19 g/mol
LogP0.34
Rot. Bonds2

About N'-hydroxy-2-(2-oxo-1,3-benzoxazol-3-yl)ethanimidamide

N'-hydroxy-2-(2-oxo-1,3-benzoxazol-3-yl)ethanimidamide (PubChem CID 44721311) has the molecular formula C9H9N3O3 and a molecular weight of 207.19 g/mol. Its IUPAC name is N'-hydroxy-2-(2-oxo-1,3-benzoxazol-3-yl)ethanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2-(2-oxo-1,3-benzoxazol-3-yl)ethanimidamide
PubChem CID44721311
Molecular FormulaC9H9N3O3
Molecular Weight207.19 g/mol
Exact Mass207.06
IUPAC NameN'-hydroxy-2-(2-oxo-1,3-benzoxazol-3-yl)ethanimidamide
SMILESN/C(Cn1c(=O)oc2ccccc21)=N\O
InChIInChI=1S/C9H9N3O3/c10-8(11-14)5-12-6-3-1-2-4-7(6)15-9(12)13/h1-4,14H,5H2,(H2,10,11)
InChIKeyYQBLNMICYQAGMO-UHFFFAOYSA-N
XLogP0.34
TPSA93.75 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.19
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N,N-dimethyl-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 672457
phenyl 2-(2-oxo-1,3-benzoxazol-3-yl)acetate
CID 3605071
2-(2-oxo-1,3-benzoxazol-3-yl)-N-(propan-2-ylideneamino)acetamide
CID 89398509
(2-oxo-1,3-benzoxazol-3-yl)methanesulfonamide
CID 69238074
N-cyano-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 79194815
2-(2-oxo-1,3-benzoxazol-3-yl)-N-propan-2-ylacetamide
CID 4051540
1-[[2-(2-oxo-1,3-benzoxazol-3-yl)acetyl]amino]cyclohexane-1-carboxamide
CID 86992273
2-(2-oxo-1,3-benzoxazol-3-yl)-N-(2H-tetrazol-5-yl)ethanimidate
CID 7422539
(1,3-dioxoisoindol-2-yl)methyl 2-(2-oxo-1,3-benzoxazol-3-yl)acetate
CID 7400824
3-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-1,3-benzoxazol-2-one
CID 2093488
3-[2-oxo-2-(2-propan-2-ylimino-1-pyridinyl)ethyl]-1,3-benzoxazol-2-one
CID 24644112
(3,4-dichlorophenyl)methyl 2-(2-oxo-1,3-benzoxazol-3-yl)acetate
CID 7401044

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-(2-oxo-1,3-benzoxazol-3-yl)ethanimidamide?
The IUPAC name of N'-hydroxy-2-(2-oxo-1,3-benzoxazol-3-yl)ethanimidamide (CID 44721311) is N'-hydroxy-2-(2-oxo-1,3-benzoxazol-3-yl)ethanimidamide.
What is the SMILES notation for N'-hydroxy-2-(2-oxo-1,3-benzoxazol-3-yl)ethanimidamide?
The canonical SMILES for N'-hydroxy-2-(2-oxo-1,3-benzoxazol-3-yl)ethanimidamide is N/C(Cn1c(=O)oc2ccccc21)=N\O.
What is the InChIKey of N'-hydroxy-2-(2-oxo-1,3-benzoxazol-3-yl)ethanimidamide?
The InChIKey is YQBLNMICYQAGMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O3/c10-8(11-14)5-12-6-3-1-2-4-7(6)15-9(12)13/h1-4,14H,5H2,(H2,10,11).
What are the key properties of N'-hydroxy-2-(2-oxo-1,3-benzoxazol-3-yl)ethanimidamide?
N'-hydroxy-2-(2-oxo-1,3-benzoxazol-3-yl)ethanimidamide has a molecular weight of 207.19 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 N'-hydroxy-2-(2-oxo-1,3-benzoxazol-3-yl)ethanimidamide is sourced from PubChem (CID 44721311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).