methyl 2-[(4-methyl-1,2-oxazole-5-carbonyl)amino]acetate

C8H10N2O4 — CID 66336334

IUPACmethyl 2-[(4-methyl-1,2-oxazole-5-carbonyl)amino]acetate
SMILESCOC(=O)CNC(=O)c1oncc1C
InChIInChI=1S/C8H10N2O4/c1-5-3-10-14-7(5)8(12)9-4-6(11)13-2/h3H,4H2,1-2H3,(H,9,12)
InChIKeyKYYCQCKYYBJSFL-UHFFFAOYSA-N
MW198.18 g/mol
LogP-0.11
Rot. Bonds3

About methyl 2-[(4-methyl-1,2-oxazole-5-carbonyl)amino]acetate

methyl 2-[(4-methyl-1,2-oxazole-5-carbonyl)amino]acetate (PubChem CID 66336334) has the molecular formula C8H10N2O4 and a molecular weight of 198.18 g/mol. Its IUPAC name is methyl 2-[(4-methyl-1,2-oxazole-5-carbonyl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-[(4-methyl-1,2-oxazole-5-carbonyl)amino]acetate
PubChem CID66336334
Molecular FormulaC8H10N2O4
Molecular Weight198.18 g/mol
Exact Mass198.06
IUPAC Namemethyl 2-[(4-methyl-1,2-oxazole-5-carbonyl)amino]acetate
SMILESCOC(=O)CNC(=O)c1oncc1C
InChIInChI=1S/C8H10N2O4/c1-5-3-10-14-7(5)8(12)9-4-6(11)13-2/h3H,4H2,1-2H3,(H,9,12)
InChIKeyKYYCQCKYYBJSFL-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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Frequently Asked Questions

What is the IUPAC name of methyl 2-[(4-methyl-1,2-oxazole-5-carbonyl)amino]acetate?
The IUPAC name of methyl 2-[(4-methyl-1,2-oxazole-5-carbonyl)amino]acetate (CID 66336334) is methyl 2-[(4-methyl-1,2-oxazole-5-carbonyl)amino]acetate.
What is the SMILES notation for methyl 2-[(4-methyl-1,2-oxazole-5-carbonyl)amino]acetate?
The canonical SMILES for methyl 2-[(4-methyl-1,2-oxazole-5-carbonyl)amino]acetate is COC(=O)CNC(=O)c1oncc1C.
What is the InChIKey of methyl 2-[(4-methyl-1,2-oxazole-5-carbonyl)amino]acetate?
The InChIKey is KYYCQCKYYBJSFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O4/c1-5-3-10-14-7(5)8(12)9-4-6(11)13-2/h3H,4H2,1-2H3,(H,9,12).
What are the key properties of methyl 2-[(4-methyl-1,2-oxazole-5-carbonyl)amino]acetate?
methyl 2-[(4-methyl-1,2-oxazole-5-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-[(4-methyl-1,2-oxazole-5-carbonyl)amino]acetate is sourced from PubChem (CID 66336334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).