ethyl 2-(methylamino)-2-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)acetate

C13H16N2O4 — CID 116961355

IUPACethyl 2-(methylamino)-2-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)acetate
SMILESCCOC(=O)C(NC)c1ccc2oc(=O)n(C)c2c1
InChIInChI=1S/C13H16N2O4/c1-4-18-12(16)11(14-2)8-5-6-10-9(7-8)15(3)13(17)19-10/h5-7,11,14H,4H2,1-3H3
InChIKeyUGQUKINVQWNVIJ-UHFFFAOYSA-N
MW264.28 g/mol
LogP0.96
Rot. Bonds4

About ethyl 2-(methylamino)-2-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)acetate

ethyl 2-(methylamino)-2-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)acetate (PubChem CID 116961355) has the molecular formula C13H16N2O4 and a molecular weight of 264.28 g/mol. Its IUPAC name is ethyl 2-(methylamino)-2-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(methylamino)-2-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)acetate
PubChem CID116961355
Molecular FormulaC13H16N2O4
Molecular Weight264.28 g/mol
Exact Mass264.11
IUPAC Nameethyl 2-(methylamino)-2-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)acetate
SMILESCCOC(=O)C(NC)c1ccc2oc(=O)n(C)c2c1
InChIInChI=1S/C13H16N2O4/c1-4-18-12(16)11(14-2)8-5-6-10-9(7-8)15(3)13(17)19-10/h5-7,11,14H,4H2,1-3H3
InChIKeyUGQUKINVQWNVIJ-UHFFFAOYSA-N
XLogP0.96
TPSA73.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-methyl-5-[1-(methylamino)-2-oxopropyl]-1,3-benzoxazol-2-one
CID 116955912
5-[amino(hydroxy)methyl]-3-methyl-1,3-benzoxazol-2-one
CID 116939680
ethyl 2-(3-ethyl-2-oxo-1,3-benzoxazol-5-yl)-2-hydroxyacetate
CID 117416740
2-amino-2-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)acetamide
CID 116850801
2-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)butanoic acid
CID 116964078
5-[2-hydroxy-1-(methylamino)propyl]-3-methyl-1,3-benzoxazol-2-one
CID 116859488
5-[amino(bromo)methyl]-3-methyl-1,3-benzoxazol-2-one
CID 116947662
ethyl (2S)-2-(3,4-difluorophenyl)-2-(methylamino)acetate
CID 51888823
5-(1-amino-3-methylbutyl)-3-methyl-1,3-benzoxazol-2-one
CID 82496350
3-methyl-5-[methylamino(pyrrolidin-3-yl)methyl]-1,3-benzoxazol-2-one
CID 116951093
5-(1,2-diamino-2-methylpropyl)-3-methyl-1,3-benzoxazol-2-one
CID 116932683
5-(2-amino-1-phenylethyl)-3-methyl-1,3-benzoxazol-2-one
CID 82501887

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(methylamino)-2-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)acetate?
The IUPAC name of ethyl 2-(methylamino)-2-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)acetate (CID 116961355) is ethyl 2-(methylamino)-2-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)acetate.
What is the SMILES notation for ethyl 2-(methylamino)-2-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)acetate?
The canonical SMILES for ethyl 2-(methylamino)-2-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)acetate is CCOC(=O)C(NC)c1ccc2oc(=O)n(C)c2c1.
What is the InChIKey of ethyl 2-(methylamino)-2-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)acetate?
The InChIKey is UGQUKINVQWNVIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O4/c1-4-18-12(16)11(14-2)8-5-6-10-9(7-8)15(3)13(17)19-10/h5-7,11,14H,4H2,1-3H3.
What are the key properties of ethyl 2-(methylamino)-2-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)acetate?
ethyl 2-(methylamino)-2-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)acetate has a molecular weight of 264.28 g/mol, XLogP of 0.96, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(methylamino)-2-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)acetate is sourced from PubChem (CID 116961355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).