3-ethyl-5-[(hydroxyamino)methyl]-1,3-benzoxazol-2-one

C10H12N2O3 — CID 117297325

IUPAC3-ethyl-5-[(hydroxyamino)methyl]-1,3-benzoxazol-2-one
SMILESCCn1c(=O)oc2ccc(CNO)cc21
InChIInChI=1S/C10H12N2O3/c1-2-12-8-5-7(6-11-14)3-4-9(8)15-10(12)13/h3-5,11,14H,2,6H2,1H3
InChIKeyREXUZERXMZIFGF-UHFFFAOYSA-N
MW208.22 g/mol
LogP1.09
Rot. Bonds3

About 3-ethyl-5-[(hydroxyamino)methyl]-1,3-benzoxazol-2-one

3-ethyl-5-[(hydroxyamino)methyl]-1,3-benzoxazol-2-one (PubChem CID 117297325) has the molecular formula C10H12N2O3 and a molecular weight of 208.22 g/mol. Its IUPAC name is 3-ethyl-5-[(hydroxyamino)methyl]-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name3-ethyl-5-[(hydroxyamino)methyl]-1,3-benzoxazol-2-one
PubChem CID117297325
Molecular FormulaC10H12N2O3
Molecular Weight208.22 g/mol
Exact Mass208.08
IUPAC Name3-ethyl-5-[(hydroxyamino)methyl]-1,3-benzoxazol-2-one
SMILESCCn1c(=O)oc2ccc(CNO)cc21
InChIInChI=1S/C10H12N2O3/c1-2-12-8-5-7(6-11-14)3-4-9(8)15-10(12)13/h3-5,11,14H,2,6H2,1H3
InChIKeyREXUZERXMZIFGF-UHFFFAOYSA-N
XLogP1.09
TPSA67.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.22
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-ethyl-5-(hydroxymethyl)-1,3-benzoxazol-2-one
CID 82357274
3-ethyl-5-propyl-1,3-benzoxazol-2-one
CID 70297213
5-ethyl-3-(2-hydroxy-2-methylpropyl)-1,3-benzoxazol-2-one
CID 134527821
N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]ethanesulfonamide
CID 110786920
5-(2-aminoethyl)-3-propyl-1,3-benzoxazol-2-one
CID 28916712
ethyl 2-(3-ethyl-2-oxo-1,3-benzoxazol-5-yl)-2-hydroxyacetate
CID 117416740
1-(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)-3-(4-ethylphenyl)urea
CID 50796887
1-(3-ethyl-2-oxo-1,3-benzoxazol-5-yl)cyclobutane-1-carboxylic acid
CID 117406858
1-(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)-3-[(3-methoxyphenyl)methyl]urea
CID 50796782
3-chloro-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]propanamide
CID 115162534
3-ethyl-6-sulfanyl-1,3-benzoxazol-2-one
CID 62299879
5-[(2-aminoethylamino)methyl]-3-methyl-1,3-benzoxazol-2-one
CID 115195345

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5-[(hydroxyamino)methyl]-1,3-benzoxazol-2-one?
The IUPAC name of 3-ethyl-5-[(hydroxyamino)methyl]-1,3-benzoxazol-2-one (CID 117297325) is 3-ethyl-5-[(hydroxyamino)methyl]-1,3-benzoxazol-2-one.
What is the SMILES notation for 3-ethyl-5-[(hydroxyamino)methyl]-1,3-benzoxazol-2-one?
The canonical SMILES for 3-ethyl-5-[(hydroxyamino)methyl]-1,3-benzoxazol-2-one is CCn1c(=O)oc2ccc(CNO)cc21.
What is the InChIKey of 3-ethyl-5-[(hydroxyamino)methyl]-1,3-benzoxazol-2-one?
The InChIKey is REXUZERXMZIFGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O3/c1-2-12-8-5-7(6-11-14)3-4-9(8)15-10(12)13/h3-5,11,14H,2,6H2,1H3.
What are the key properties of 3-ethyl-5-[(hydroxyamino)methyl]-1,3-benzoxazol-2-one?
3-ethyl-5-[(hydroxyamino)methyl]-1,3-benzoxazol-2-one has a molecular weight of 208.22 g/mol, XLogP of 1.09, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5-[(hydroxyamino)methyl]-1,3-benzoxazol-2-one is sourced from PubChem (CID 117297325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).