(2-amino-2-oxoethyl) 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate

C15H16N2O5 — CID 2531188

IUPAC(2-amino-2-oxoethyl) 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate
SMILESCc1noc(C)c1COc1ccc(C(=O)OCC(N)=O)cc1
InChIInChI=1S/C15H16N2O5/c1-9-13(10(2)22-17-9)7-20-12-5-3-11(4-6-12)15(19)21-8-14(16)18/h3-6H,7-8H2,1-2H3,(H2,16,18)
InChIKeyHZCVDGDMUFWTJJ-UHFFFAOYSA-N
MW304.30 g/mol
LogP1.51
Rot. Bonds6

About (2-amino-2-oxoethyl) 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate

(2-amino-2-oxoethyl) 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate (PubChem CID 2531188) has the molecular formula C15H16N2O5 and a molecular weight of 304.30 g/mol. Its IUPAC name is (2-amino-2-oxoethyl) 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate.

Molecular Properties

Compound Name(2-amino-2-oxoethyl) 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate
PubChem CID2531188
Molecular FormulaC15H16N2O5
Molecular Weight304.30 g/mol
Exact Mass304.11
IUPAC Name(2-amino-2-oxoethyl) 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate
SMILESCc1noc(C)c1COc1ccc(C(=O)OCC(N)=O)cc1
InChIInChI=1S/C15H16N2O5/c1-9-13(10(2)22-17-9)7-20-12-5-3-11(4-6-12)15(19)21-8-14(16)18/h3-6H,7-8H2,1-2H3,(H2,16,18)
InChIKeyHZCVDGDMUFWTJJ-UHFFFAOYSA-N
XLogP1.51
TPSA104.65 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.30
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (2-amino-2-oxoethyl) 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate with MolForge

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Related Compounds

Cyanomethyl 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxybenzoate
CID 2085889
4-[(Dimethyl-1,2-oxazol-4-yl)methoxy]benzoic acid
CID 706052
F1143-2849
CID 675503
1-Cyanoethyl 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate
CID 5030119
[2-(3,4-Dimethoxyphenyl)-2-oxoethyl] 3-ethyl-5-methyl-1,2-oxazole-4-carboxylate
CID 7660675
[2-(2,4-Dimethoxyphenyl)-2-oxoethyl] 3-methyl-1,2-oxazole-5-carboxylate
CID 8099017
3-Ethyl-5-methyl-N'-[(4-methylphenoxy)acetyl]-1,2-oxazole-4-carbohydrazide
CID 24980078
(3,5-Dimethyl-1,2-oxazol-4-yl)methyl 2-(4-methyl-2-oxochromen-7-yl)oxyacetate
CID 2122162
[2-(2,3-Dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl] 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate
CID 2128689
[2-[(2-Methylpropan-2-yl)oxy]-2-oxoethyl] 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate
CID 2442775
[2-[[4-(Difluoromethoxy)benzoyl]amino]-2-oxoethyl] 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate
CID 2449400
[2-[(2-Chlorophenyl)methylamino]-2-oxoethyl] 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate
CID 2457722

Frequently Asked Questions

What is the IUPAC name of (2-amino-2-oxoethyl) 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate?
The IUPAC name of (2-amino-2-oxoethyl) 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate (CID 2531188) is (2-amino-2-oxoethyl) 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate.
What is the SMILES notation for (2-amino-2-oxoethyl) 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate?
The canonical SMILES for (2-amino-2-oxoethyl) 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate is Cc1noc(C)c1COc1ccc(C(=O)OCC(N)=O)cc1.
What is the InChIKey of (2-amino-2-oxoethyl) 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate?
The InChIKey is HZCVDGDMUFWTJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O5/c1-9-13(10(2)22-17-9)7-20-12-5-3-11(4-6-12)15(19)21-8-14(16)18/h3-6H,7-8H2,1-2H3,(H2,16,18).
What are the key properties of (2-amino-2-oxoethyl) 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate?
(2-amino-2-oxoethyl) 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate has a molecular weight of 304.30 g/mol, XLogP of 1.51, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-2-oxoethyl) 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate is sourced from PubChem (CID 2531188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).