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

C10H10N2O3 — CID 131332888

IUPACmethyl 2-(4-amino-1,3-benzoxazol-2-yl)acetate
SMILESCOC(=O)Cc1nc2c(N)cccc2o1
InChIInChI=1S/C10H10N2O3/c1-14-9(13)5-8-12-10-6(11)3-2-4-7(10)15-8/h2-4H,5,11H2,1H3
InChIKeyZQBRWFILVPLWAZ-UHFFFAOYSA-N
MW206.20 g/mol
LogP1.13
Rot. Bonds2

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

methyl 2-(4-amino-1,3-benzoxazol-2-yl)acetate (PubChem CID 131332888) has the molecular formula C10H10N2O3 and a molecular weight of 206.20 g/mol. Its IUPAC name is methyl 2-(4-amino-1,3-benzoxazol-2-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(4-amino-1,3-benzoxazol-2-yl)acetate
PubChem CID131332888
Molecular FormulaC10H10N2O3
Molecular Weight206.20 g/mol
Exact Mass206.07
IUPAC Namemethyl 2-(4-amino-1,3-benzoxazol-2-yl)acetate
SMILESCOC(=O)Cc1nc2c(N)cccc2o1
InChIInChI=1S/C10H10N2O3/c1-14-9(13)5-8-12-10-6(11)3-2-4-7(10)15-8/h2-4H,5,11H2,1H3
InChIKeyZQBRWFILVPLWAZ-UHFFFAOYSA-N
XLogP1.13
TPSA78.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.20
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(2-methoxyethoxymethyl)-1,3-benzoxazol-4-amine
CID 79998169
methyl 2-(5-amino-1,3-benzoxazol-2-yl)acetate
CID 131332887
2-[(4-amino-1,3-benzoxazol-2-yl)amino]ethyl carbamate
CID 83202383
2-[(2-ethylphenoxy)methyl]-1,3-benzoxazol-4-amine
CID 79998854
3-[(4-amino-1,3-benzoxazol-2-yl)amino]propanamide
CID 79890103
2-(3-methoxypropylsulfinylmethyl)-1,3-benzoxazol-4-amine
CID 79999533
2-[(4-amino-1,3-benzoxazol-2-yl)methyl-methylamino]-N-propylacetamide
CID 79994991
2-[[ethyl(methyl)amino]methyl]-1,3-benzoxazol-4-amine
CID 79994766
2-(naphthalen-1-ylmethyl)-1,3-benzoxazol-4-amine
CID 79022482
2-[(4-amino-1,3-benzoxazol-2-yl)methyl-(2-methylpropyl)amino]acetamide
CID 79996065
2-[(4-amino-1,3-benzoxazol-2-yl)amino]ethanol
CID 79890543
2-[(2-methoxyphenyl)sulfanylmethyl]-1,3-benzoxazol-4-amine
CID 79999709

Frequently Asked Questions

What is the IUPAC name of methyl 2-(4-amino-1,3-benzoxazol-2-yl)acetate?
The IUPAC name of methyl 2-(4-amino-1,3-benzoxazol-2-yl)acetate (CID 131332888) is methyl 2-(4-amino-1,3-benzoxazol-2-yl)acetate.
What is the SMILES notation for methyl 2-(4-amino-1,3-benzoxazol-2-yl)acetate?
The canonical SMILES for methyl 2-(4-amino-1,3-benzoxazol-2-yl)acetate is COC(=O)Cc1nc2c(N)cccc2o1.
What is the InChIKey of methyl 2-(4-amino-1,3-benzoxazol-2-yl)acetate?
The InChIKey is ZQBRWFILVPLWAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O3/c1-14-9(13)5-8-12-10-6(11)3-2-4-7(10)15-8/h2-4H,5,11H2,1H3.
What are the key properties of methyl 2-(4-amino-1,3-benzoxazol-2-yl)acetate?
methyl 2-(4-amino-1,3-benzoxazol-2-yl)acetate has a molecular weight of 206.20 g/mol, XLogP of 1.13, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4-amino-1,3-benzoxazol-2-yl)acetate is sourced from PubChem (CID 131332888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).