methyl 2-(3-methoxy-1,2-oxazol-5-yl)-2-oxoacetate

C7H7NO5 — CID 15923592

IUPACmethyl 2-(3-methoxy-1,2-oxazol-5-yl)-2-oxoacetate
SMILESCOC(=O)C(=O)c1cc(OC)no1
InChIInChI=1S/C7H7NO5/c1-11-5-3-4(13-8-5)6(9)7(10)12-2/h3H,1-2H3
InChIKeyDDSXGYFLQWGPLO-UHFFFAOYSA-N
MW185.13 g/mol
LogP0.04
Rot. Bonds3

About methyl 2-(3-methoxy-1,2-oxazol-5-yl)-2-oxoacetate

methyl 2-(3-methoxy-1,2-oxazol-5-yl)-2-oxoacetate (PubChem CID 15923592) has the molecular formula C7H7NO5 and a molecular weight of 185.13 g/mol. Its IUPAC name is methyl 2-(3-methoxy-1,2-oxazol-5-yl)-2-oxoacetate.

Molecular Properties

Compound Namemethyl 2-(3-methoxy-1,2-oxazol-5-yl)-2-oxoacetate
PubChem CID15923592
Molecular FormulaC7H7NO5
Molecular Weight185.13 g/mol
Exact Mass185.03
IUPAC Namemethyl 2-(3-methoxy-1,2-oxazol-5-yl)-2-oxoacetate
SMILESCOC(=O)C(=O)c1cc(OC)no1
InChIInChI=1S/C7H7NO5/c1-11-5-3-4(13-8-5)6(9)7(10)12-2/h3H,1-2H3
InChIKeyDDSXGYFLQWGPLO-UHFFFAOYSA-N
XLogP0.04
TPSA78.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.13
LogP ≤ 50.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-methoxy-N-propan-2-yl-1,2-oxazole-5-carboxamide
CID 90573752
2-[(3-methoxy-1,2-oxazole-5-carbonyl)amino]acetic acid
CID 120513531
3-methoxy-N,N-di(propan-2-yl)-1,2-oxazole-5-carboxamide
CID 90573695
3-methoxy-N-(4-methoxyphenyl)-1,2-oxazole-5-carboxamide
CID 90573837
3-methoxy-N-(2,4,6-trimethylphenyl)-1,2-oxazole-5-carboxamide
CID 90573885
N-butyl-3-methoxy-1,2-oxazole-5-carboxamide
CID 90573751
N-cyclopentyl-3-methoxy-1,2-oxazole-5-carboxamide
CID 90573780
4-(3-methoxy-1,2-oxazole-5-carbonyl)-N-methylpiperazine-1-sulfonamide
CID 138993831
3-[(3-methoxy-1,2-oxazole-5-carbonyl)-propan-2-ylamino]propanoic acid
CID 120520012
N-[(4-fluorophenyl)methyl]-3-methoxy-1,2-oxazole-5-carboxamide
CID 75455329
(2R)-2-hydroxy-4-[(3-methoxy-1,2-oxazole-5-carbonyl)amino]butanoic acid
CID 137394958
methyl 1-(3-methoxy-1,2-oxazole-5-carbonyl)piperidine-4-carboxylate
CID 90573723

Frequently Asked Questions

What is the IUPAC name of methyl 2-(3-methoxy-1,2-oxazol-5-yl)-2-oxoacetate?
The IUPAC name of methyl 2-(3-methoxy-1,2-oxazol-5-yl)-2-oxoacetate (CID 15923592) is methyl 2-(3-methoxy-1,2-oxazol-5-yl)-2-oxoacetate.
What is the SMILES notation for methyl 2-(3-methoxy-1,2-oxazol-5-yl)-2-oxoacetate?
The canonical SMILES for methyl 2-(3-methoxy-1,2-oxazol-5-yl)-2-oxoacetate is COC(=O)C(=O)c1cc(OC)no1.
What is the InChIKey of methyl 2-(3-methoxy-1,2-oxazol-5-yl)-2-oxoacetate?
The InChIKey is DDSXGYFLQWGPLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7NO5/c1-11-5-3-4(13-8-5)6(9)7(10)12-2/h3H,1-2H3.
What are the key properties of methyl 2-(3-methoxy-1,2-oxazol-5-yl)-2-oxoacetate?
methyl 2-(3-methoxy-1,2-oxazol-5-yl)-2-oxoacetate has a molecular weight of 185.13 g/mol, XLogP of 0.04, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(3-methoxy-1,2-oxazol-5-yl)-2-oxoacetate is sourced from PubChem (CID 15923592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).