methyl 3-methyl-1,2-oxazole-4-carboxylate

C6H7NO3 — CID 5249569

IUPACmethyl 3-methyl-1,2-oxazole-4-carboxylate
SMILESCOC(=O)c1conc1C
InChIInChI=1S/C6H7NO3/c1-4-5(3-10-7-4)6(8)9-2/h3H,1-2H3
InChIKeyQLWCWMCZEGJNQO-UHFFFAOYSA-N
MW141.13 g/mol
LogP0.77
Rot. Bonds1

About methyl 3-methyl-1,2-oxazole-4-carboxylate

methyl 3-methyl-1,2-oxazole-4-carboxylate (PubChem CID 5249569) has the molecular formula C6H7NO3 and a molecular weight of 141.13 g/mol. Its IUPAC name is methyl 3-methyl-1,2-oxazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 3-methyl-1,2-oxazole-4-carboxylate
PubChem CID5249569
Molecular FormulaC6H7NO3
Molecular Weight141.13 g/mol
Exact Mass141.04
IUPAC Namemethyl 3-methyl-1,2-oxazole-4-carboxylate
SMILESCOC(=O)c1conc1C
InChIInChI=1S/C6H7NO3/c1-4-5(3-10-7-4)6(8)9-2/h3H,1-2H3
InChIKeyQLWCWMCZEGJNQO-UHFFFAOYSA-N
XLogP0.77
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.13
LogP ≤ 50.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-methoxy-N,3-dimethyl-1,2-oxazole-4-carboxamide
CID 45099364
methyl 3-(methylcarbamoyl)-1,2-oxazole-4-carboxylate
CID 125489980
methyl 3-(2-methylphenyl)-1,2-oxazole-4-carboxylate
CID 870098
methyl 3-(2-aminopropan-2-yl)-1,2-oxazole-4-carboxylate;hydrochloride
CID 119031514
methyl 3-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,2-oxazole-4-carboxylate
CID 168861760
methyl 3-pyridin-2-yl-1,2-oxazole-4-carboxylate
CID 767299
methyl 3-(4-hydroxy-3-methoxyphenyl)-1,2-oxazole-4-carboxylate
CID 870102
methyl 3-(2,5-dimethoxyphenyl)-1,2-oxazole-4-carboxylate
CID 870182
N-(2,5-dimethylphenyl)-3-methyl-1,2-oxazole-4-carboxamide
CID 110857256
N-[4-(dimethylamino)phenyl]-3-methyl-1,2-oxazole-4-carboxamide
CID 110861926
methyl 3-[2-[(2,5-dimethyl-1,3-oxazole-4-carbonyl)amino]propan-2-yl]-1,2-oxazole-4-carboxylate
CID 126827898
3-methoxy-1,2-oxazole-4-carboxylic acid
CID 24860323

Frequently Asked Questions

What is the IUPAC name of methyl 3-methyl-1,2-oxazole-4-carboxylate?
The IUPAC name of methyl 3-methyl-1,2-oxazole-4-carboxylate (CID 5249569) is methyl 3-methyl-1,2-oxazole-4-carboxylate.
What is the SMILES notation for methyl 3-methyl-1,2-oxazole-4-carboxylate?
The canonical SMILES for methyl 3-methyl-1,2-oxazole-4-carboxylate is COC(=O)c1conc1C.
What is the InChIKey of methyl 3-methyl-1,2-oxazole-4-carboxylate?
The InChIKey is QLWCWMCZEGJNQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7NO3/c1-4-5(3-10-7-4)6(8)9-2/h3H,1-2H3.
What are the key properties of methyl 3-methyl-1,2-oxazole-4-carboxylate?
methyl 3-methyl-1,2-oxazole-4-carboxylate has a molecular weight of 141.13 g/mol, XLogP of 0.77, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-methyl-1,2-oxazole-4-carboxylate is sourced from PubChem (CID 5249569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).