methyl 2-(1,2-oxazol-3-ylamino)-2-oxoacetate

C6H6N2O4 — CID 112617179

IUPACmethyl 2-(1,2-oxazol-3-ylamino)-2-oxoacetate
SMILESCOC(=O)C(=O)Nc1ccon1
InChIInChI=1S/C6H6N2O4/c1-11-6(10)5(9)7-4-2-3-12-8-4/h2-3H,1H3,(H,7,8,9)
InChIKeySKRPOKJAZISDAQ-UHFFFAOYSA-N
MW170.12 g/mol
LogP-0.21
Rot. Bonds1

About methyl 2-(1,2-oxazol-3-ylamino)-2-oxoacetate

methyl 2-(1,2-oxazol-3-ylamino)-2-oxoacetate (PubChem CID 112617179) has the molecular formula C6H6N2O4 and a molecular weight of 170.12 g/mol. Its IUPAC name is methyl 2-(1,2-oxazol-3-ylamino)-2-oxoacetate.

Molecular Properties

Compound Namemethyl 2-(1,2-oxazol-3-ylamino)-2-oxoacetate
PubChem CID112617179
Molecular FormulaC6H6N2O4
Molecular Weight170.12 g/mol
Exact Mass170.03
IUPAC Namemethyl 2-(1,2-oxazol-3-ylamino)-2-oxoacetate
SMILESCOC(=O)C(=O)Nc1ccon1
InChIInChI=1S/C6H6N2O4/c1-11-6(10)5(9)7-4-2-3-12-8-4/h2-3H,1H3,(H,7,8,9)
InChIKeySKRPOKJAZISDAQ-UHFFFAOYSA-N
XLogP-0.21
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.12
LogP ≤ 5-0.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2,3-dimethyl-4-(1,2-oxazol-3-ylamino)-4-oxobut-2-enoic acid
CID 76992297
2-methoxy-2-methyl-N-(1,2-oxazol-3-yl)propanamide
CID 104580759
N-(1,2-oxazol-3-yl)-3-oxobutanamide
CID 62902230
2-(2-methoxyethoxy)-N-(1,2-oxazol-3-yl)acetamide
CID 103895196
N-[(2-methoxyphenyl)methyl]-N'-(1,2-oxazol-3-yl)oxamide
CID 18588609
methyl 4-(1,2-oxazol-3-ylcarbamoylamino)benzoate
CID 108811946
3-(methylamino)-N-(1,2-oxazol-3-yl)cyclobutane-1-carboxamide
CID 164651421
N-[(2R)-2-(furan-2-yl)-2-methoxyethyl]-N'-(1,2-oxazol-3-yl)oxamide
CID 99876507
N-[(2S)-2-(furan-2-yl)-2-methoxyethyl]-N'-(1,2-oxazol-3-yl)oxamide
CID 99876506
N-(1,2-oxazol-3-yl)-N'-[(1R)-1-phenylethyl]oxamide
CID 41452995
3,4-dimethoxy-N-(1,2-oxazol-3-yl)benzamide
CID 17217711
2,2-difluoro-N-(1,2-oxazol-3-yl)acetamide
CID 103515463

Frequently Asked Questions

What is the IUPAC name of methyl 2-(1,2-oxazol-3-ylamino)-2-oxoacetate?
The IUPAC name of methyl 2-(1,2-oxazol-3-ylamino)-2-oxoacetate (CID 112617179) is methyl 2-(1,2-oxazol-3-ylamino)-2-oxoacetate.
What is the SMILES notation for methyl 2-(1,2-oxazol-3-ylamino)-2-oxoacetate?
The canonical SMILES for methyl 2-(1,2-oxazol-3-ylamino)-2-oxoacetate is COC(=O)C(=O)Nc1ccon1.
What is the InChIKey of methyl 2-(1,2-oxazol-3-ylamino)-2-oxoacetate?
The InChIKey is SKRPOKJAZISDAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N2O4/c1-11-6(10)5(9)7-4-2-3-12-8-4/h2-3H,1H3,(H,7,8,9).
What are the key properties of methyl 2-(1,2-oxazol-3-ylamino)-2-oxoacetate?
methyl 2-(1,2-oxazol-3-ylamino)-2-oxoacetate has a molecular weight of 170.12 g/mol, XLogP of -0.21, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(1,2-oxazol-3-ylamino)-2-oxoacetate is sourced from PubChem (CID 112617179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).