methyl 3-(methylcarbamoyl)-1,2-oxazole-4-carboxylate

C7H8N2O4 — CID 125489980

IUPACmethyl 3-(methylcarbamoyl)-1,2-oxazole-4-carboxylate
SMILESCNC(=O)c1nocc1C(=O)OC
InChIInChI=1S/C7H8N2O4/c1-8-6(10)5-4(3-13-9-5)7(11)12-2/h3H,1-2H3,(H,8,10)
InChIKeyYEPPLHRPQGVHCF-UHFFFAOYSA-N
MW184.15 g/mol
LogP-0.18
Rot. Bonds2

About methyl 3-(methylcarbamoyl)-1,2-oxazole-4-carboxylate

methyl 3-(methylcarbamoyl)-1,2-oxazole-4-carboxylate (PubChem CID 125489980) has the molecular formula C7H8N2O4 and a molecular weight of 184.15 g/mol. Its IUPAC name is methyl 3-(methylcarbamoyl)-1,2-oxazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 3-(methylcarbamoyl)-1,2-oxazole-4-carboxylate
PubChem CID125489980
Molecular FormulaC7H8N2O4
Molecular Weight184.15 g/mol
Exact Mass184.05
IUPAC Namemethyl 3-(methylcarbamoyl)-1,2-oxazole-4-carboxylate
SMILESCNC(=O)c1nocc1C(=O)OC
InChIInChI=1S/C7H8N2O4/c1-8-6(10)5-4(3-13-9-5)7(11)12-2/h3H,1-2H3,(H,8,10)
InChIKeyYEPPLHRPQGVHCF-UHFFFAOYSA-N
XLogP-0.18
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.15
LogP ≤ 5-0.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3-methyl-1,2-oxazole-4-carboxylate
CID 5249569
methyl 5-(methylcarbamoyl)-2H-triazole-4-carboxylate
CID 146299699
methyl 3-(2-aminopropan-2-yl)-1,2-oxazole-4-carboxylate;hydrochloride
CID 119031514
methyl 3-(2-methylphenyl)-1,2-oxazole-4-carboxylate
CID 870098
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 5-ethyl-3-(methylcarbamoyl)-1,2-oxazole-4-carboxylate
CID 57333910
methyl 3-[2-[(2,5-dimethyl-1,3-oxazole-4-carbonyl)amino]propan-2-yl]-1,2-oxazole-4-carboxylate
CID 126827898
ethane;4-methoxy-1,2-oxazole-3-carboxamide
CID 157030900
methyl 3-(2,5-dimethoxyphenyl)-1,2-oxazole-4-carboxylate
CID 870182
methyl 3-(4-hydroxy-3-methoxyphenyl)-1,2-oxazole-4-carboxylate
CID 870102
3-methoxy-1,2-oxazole-4-carboxylic acid
CID 24860323

Frequently Asked Questions

What is the IUPAC name of methyl 3-(methylcarbamoyl)-1,2-oxazole-4-carboxylate?
The IUPAC name of methyl 3-(methylcarbamoyl)-1,2-oxazole-4-carboxylate (CID 125489980) is methyl 3-(methylcarbamoyl)-1,2-oxazole-4-carboxylate.
What is the SMILES notation for methyl 3-(methylcarbamoyl)-1,2-oxazole-4-carboxylate?
The canonical SMILES for methyl 3-(methylcarbamoyl)-1,2-oxazole-4-carboxylate is CNC(=O)c1nocc1C(=O)OC.
What is the InChIKey of methyl 3-(methylcarbamoyl)-1,2-oxazole-4-carboxylate?
The InChIKey is YEPPLHRPQGVHCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O4/c1-8-6(10)5-4(3-13-9-5)7(11)12-2/h3H,1-2H3,(H,8,10).
What are the key properties of methyl 3-(methylcarbamoyl)-1,2-oxazole-4-carboxylate?
methyl 3-(methylcarbamoyl)-1,2-oxazole-4-carboxylate has a molecular weight of 184.15 g/mol, XLogP of -0.18, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(methylcarbamoyl)-1,2-oxazole-4-carboxylate is sourced from PubChem (CID 125489980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).