methyl 2-(4-amino-2-oxo-1,3-benzoxazol-3-yl)acetate

C10H10N2O4 — CID 82345280

IUPACmethyl 2-(4-amino-2-oxo-1,3-benzoxazol-3-yl)acetate
SMILESCOC(=O)Cn1c(=O)oc2cccc(N)c21
InChIInChI=1S/C10H10N2O4/c1-15-8(13)5-12-9-6(11)3-2-4-7(9)16-10(12)14/h2-4H,5,11H2,1H3
InChIKeyQRFPWAAPGHZTIY-UHFFFAOYSA-N
MW222.20 g/mol
LogP0.35
Rot. Bonds2

About methyl 2-(4-amino-2-oxo-1,3-benzoxazol-3-yl)acetate

methyl 2-(4-amino-2-oxo-1,3-benzoxazol-3-yl)acetate (PubChem CID 82345280) has the molecular formula C10H10N2O4 and a molecular weight of 222.20 g/mol. Its IUPAC name is methyl 2-(4-amino-2-oxo-1,3-benzoxazol-3-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(4-amino-2-oxo-1,3-benzoxazol-3-yl)acetate
PubChem CID82345280
Molecular FormulaC10H10N2O4
Molecular Weight222.20 g/mol
Exact Mass222.06
IUPAC Namemethyl 2-(4-amino-2-oxo-1,3-benzoxazol-3-yl)acetate
SMILESCOC(=O)Cn1c(=O)oc2cccc(N)c21
InChIInChI=1S/C10H10N2O4/c1-15-8(13)5-12-9-6(11)3-2-4-7(9)16-10(12)14/h2-4H,5,11H2,1H3
InChIKeyQRFPWAAPGHZTIY-UHFFFAOYSA-N
XLogP0.35
TPSA87.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.20
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-ethoxyethyl 2-(4-amino-2-oxo-1,3-benzoxazol-3-yl)acetate
CID 82345282
methyl 2-(4,5-difluoro-2-oxo-1,3-benzoxazol-3-yl)acetate
CID 134446922
methyl 2-(4-amino-2-oxo-1,3-benzoxazol-3-yl)propanoate
CID 82345286
4-amino-3-butyl-1,3-benzoxazol-2-one
CID 82345336
4-amino-3-(3-hydroxypropyl)-1,3-benzoxazol-2-one
CID 82345373
methyl 3-ethyl-2-oxo-1,3-benzoxazole-4-carboxylate
CID 58297706
4-amino-3-(3-phenoxypropyl)-1,3-benzoxazol-2-one
CID 82345355
methyl 2-(7-aminoindol-1-yl)acetate
CID 114935904
propan-2-yl 2-(4-amino-2-oxo-1,3-benzoxazol-3-yl)propanoate
CID 82345297
methyl 2-[6-[(3-chlorophenyl)sulfamoyl]-2-oxo-1,3-benzoxazol-3-yl]acetate
CID 53051808
butyl 2-(4-amino-2-oxo-1,3-benzoxazol-3-yl)propanoate
CID 82345287
[2-(2,6-dimethylanilino)-2-oxoethyl] 2-(2-oxo-1,3-benzoxazol-3-yl)acetate
CID 7401180

Frequently Asked Questions

What is the IUPAC name of methyl 2-(4-amino-2-oxo-1,3-benzoxazol-3-yl)acetate?
The IUPAC name of methyl 2-(4-amino-2-oxo-1,3-benzoxazol-3-yl)acetate (CID 82345280) is methyl 2-(4-amino-2-oxo-1,3-benzoxazol-3-yl)acetate.
What is the SMILES notation for methyl 2-(4-amino-2-oxo-1,3-benzoxazol-3-yl)acetate?
The canonical SMILES for methyl 2-(4-amino-2-oxo-1,3-benzoxazol-3-yl)acetate is COC(=O)Cn1c(=O)oc2cccc(N)c21.
What is the InChIKey of methyl 2-(4-amino-2-oxo-1,3-benzoxazol-3-yl)acetate?
The InChIKey is QRFPWAAPGHZTIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O4/c1-15-8(13)5-12-9-6(11)3-2-4-7(9)16-10(12)14/h2-4H,5,11H2,1H3.
What are the key properties of methyl 2-(4-amino-2-oxo-1,3-benzoxazol-3-yl)acetate?
methyl 2-(4-amino-2-oxo-1,3-benzoxazol-3-yl)acetate has a molecular weight of 222.20 g/mol, XLogP of 0.35, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4-amino-2-oxo-1,3-benzoxazol-3-yl)acetate is sourced from PubChem (CID 82345280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).