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

C5H4NO3- — CID 6985532

IUPAC5-methyl-1,2-oxazole-4-carboxylate
SMILESCc1oncc1C(=O)[O-]
InChIInChI=1S/C5H5NO3/c1-3-4(5(7)8)2-6-9-3/h2H,1H3,(H,7,8)/p-1
InChIKeyVQBXUKGMJCPBMF-UHFFFAOYSA-M
MW126.09 g/mol
LogP-0.65
Rot. Bonds1

About 5-methyl-1,2-oxazole-4-carboxylate

5-methyl-1,2-oxazole-4-carboxylate (PubChem CID 6985532) has the molecular formula C5H4NO3- and a molecular weight of 126.09 g/mol. Its IUPAC name is 5-methyl-1,2-oxazole-4-carboxylate.

Molecular Properties

Compound Name5-methyl-1,2-oxazole-4-carboxylate
PubChem CID6985532
Molecular FormulaC5H4NO3-
Molecular Weight126.09 g/mol
Exact Mass126.02
IUPAC Name5-methyl-1,2-oxazole-4-carboxylate
SMILESCc1oncc1C(=O)[O-]
InChIInChI=1S/C5H5NO3/c1-3-4(5(7)8)2-6-9-3/h2H,1H3,(H,7,8)/p-1
InChIKeyVQBXUKGMJCPBMF-UHFFFAOYSA-M
XLogP-0.65
TPSA66.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.09
LogP ≤ 5-0.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-Methylisoxazole-4-carboxylic acid
CID 1425240
5-(Chloromethyl)isoxazole-4-carboxylic acid
CID 16217814
5-Methyl-1,2-oxazole-4-carbonyl chloride
CID 2759917
1-(5-Methyl-1,2-oxazol-4-yl)ethan-1-one
CID 2764059
Ethyl 5-methylisoxazole-4-carboxylate
CID 7009317
5-Ethyl-4-isoxazolecarboxylic acid
CID 14787247
5-Methyl-1,2-oxazole-4-carbaldehyde
CID 15721166
Methyl 5-methyl-1,2-oxazole-4-carboxylate
CID 22309104
5-Chloromethyl-isoxazole-4-carboxylic acid ethyl ester
CID 75487595
Methyl 5-(chloromethyl)-1,2-oxazole-4-carboxylate
CID 119032149
5-Methylisoxazole-4-carboxamide
CID 18366019
5-(Trifluoromethyl)isoxazole-4-carboxylic acid
CID 20222357

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1,2-oxazole-4-carboxylate?
The IUPAC name of 5-methyl-1,2-oxazole-4-carboxylate (CID 6985532) is 5-methyl-1,2-oxazole-4-carboxylate.
What is the SMILES notation for 5-methyl-1,2-oxazole-4-carboxylate?
The canonical SMILES for 5-methyl-1,2-oxazole-4-carboxylate is Cc1oncc1C(=O)[O-].
What is the InChIKey of 5-methyl-1,2-oxazole-4-carboxylate?
The InChIKey is VQBXUKGMJCPBMF-UHFFFAOYSA-M. The full InChI is InChI=1S/C5H5NO3/c1-3-4(5(7)8)2-6-9-3/h2H,1H3,(H,7,8)/p-1.
What are the key properties of 5-methyl-1,2-oxazole-4-carboxylate?
5-methyl-1,2-oxazole-4-carboxylate has a molecular weight of 126.09 g/mol, XLogP of -0.65, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1,2-oxazole-4-carboxylate is sourced from PubChem (CID 6985532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).