methyl 2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]acetate

C8H10N2O4 — CID 2747412

IUPACmethyl 2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]acetate
SMILESCOC(=O)CNC(=O)c1cc(C)on1
InChIInChI=1S/C8H10N2O4/c1-5-3-6(10-14-5)8(12)9-4-7(11)13-2/h3H,4H2,1-2H3,(H,9,12)
InChIKeyFPAQMEYCJIMDCC-UHFFFAOYSA-N
MW198.18 g/mol
LogP-0.11
Rot. Bonds3

About methyl 2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]acetate

methyl 2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]acetate (PubChem CID 2747412) has the molecular formula C8H10N2O4 and a molecular weight of 198.18 g/mol. Its IUPAC name is methyl 2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]acetate
PubChem CID2747412
Molecular FormulaC8H10N2O4
Molecular Weight198.18 g/mol
Exact Mass198.06
IUPAC Namemethyl 2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]acetate
SMILESCOC(=O)CNC(=O)c1cc(C)on1
InChIInChI=1S/C8H10N2O4/c1-5-3-6(10-14-5)8(12)9-4-7(11)13-2/h3H,4H2,1-2H3,(H,9,12)
InChIKeyFPAQMEYCJIMDCC-UHFFFAOYSA-N
XLogP-0.11
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.18
LogP ≤ 5-0.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-methyl-N-[1-(oxolan-2-yl)ethyl]-1,2-oxazole-3-carboxamide
CID 2970309
N-cyclohexyl-N,5-dimethyl-3-isoxazolecarboxamide
CID 2814457
N-cyclohexyl-5-propyl-3-isoxazolecarboxamide
CID 5307570
5-methyl-N-[3-(2-oxo-1-pyrrolidinyl)propyl]-3-isoxazolecarboxamide
CID 2225426
3-Methyl-N-propylisoxazole-5-carboxamide
CID 9551512
3-methyl-N-propan-2-yl-1,2-oxazole-5-carboxamide
CID 3245069
N-cyclohexyl-3-methyl-1,2-oxazole-5-carboxamide
CID 16194128
3-Isoxazolecarboxamide, 5-methyl-N-(((1-methylethyl)amino)carbonyl)-
CID 208793
5-Methyl-N-(piperidin-4-yl)-1,2-oxazole-3-carboxamide
CID 43345754
5-Methyl-~{n}-[2,2,2-Tris(Fluoranyl)ethyl]-1,2-Oxazole-3-Carboxamide
CID 9463852
N-cyclopentyl-3-methylisoxazole-5-carboxamide
CID 5308964
N-[2-(1-cyclohexenyl)ethyl]-5-methyl-3-isoxazolecarboxamide
CID 2225132

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]acetate?
The IUPAC name of methyl 2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]acetate (CID 2747412) is methyl 2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]acetate.
What is the SMILES notation for methyl 2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]acetate?
The canonical SMILES for methyl 2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]acetate is COC(=O)CNC(=O)c1cc(C)on1.
What is the InChIKey of methyl 2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]acetate?
The InChIKey is FPAQMEYCJIMDCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O4/c1-5-3-6(10-14-5)8(12)9-4-7(11)13-2/h3H,4H2,1-2H3,(H,9,12).
What are the key properties of methyl 2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]acetate?
methyl 2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]acetate has a molecular weight of 198.18 g/mol, XLogP of -0.11, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]acetate is sourced from PubChem (CID 2747412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).