5-(methoxymethyl)-1,2-oxazole-3-carboxylic acid

C6H7NO4 — CID 19374997

IUPAC5-(methoxymethyl)-1,2-oxazole-3-carboxylic acid
SMILESCOCc1cc(C(=O)O)no1
InChIInChI=1S/C6H7NO4/c1-10-3-4-2-5(6(8)9)7-11-4/h2H,3H2,1H3,(H,8,9)
InChIKeyITLABBGKNGIQTG-UHFFFAOYSA-N
MW157.12 g/mol
LogP0.52
Rot. Bonds3

About 5-(methoxymethyl)-1,2-oxazole-3-carboxylic acid

5-(methoxymethyl)-1,2-oxazole-3-carboxylic acid (PubChem CID 19374997) has the molecular formula C6H7NO4 and a molecular weight of 157.12 g/mol. Its IUPAC name is 5-(methoxymethyl)-1,2-oxazole-3-carboxylic acid.

Molecular Properties

Compound Name5-(methoxymethyl)-1,2-oxazole-3-carboxylic acid
PubChem CID19374997
Molecular FormulaC6H7NO4
Molecular Weight157.12 g/mol
Exact Mass157.04
IUPAC Name5-(methoxymethyl)-1,2-oxazole-3-carboxylic acid
SMILESCOCc1cc(C(=O)O)no1
InChIInChI=1S/C6H7NO4/c1-10-3-4-2-5(6(8)9)7-11-4/h2H,3H2,1H3,(H,8,9)
InChIKeyITLABBGKNGIQTG-UHFFFAOYSA-N
XLogP0.52
TPSA72.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.12
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-Methyl-5-isoxazolecarboxylic acid
CID 76947
Methyl 5-methylisoxazole-3-carboxylate
CID 88245
5-(Hydroxymethyl)-1,2-oxazole-3-carboxylic acid
CID 8027249
Methyl 5-(hydroxymethyl)-1,2-oxazole-3-carboxylate
CID 10034860
Methyl 3-methylisoxazole-5-carboxylate
CID 70492
Ethyl 5-methylisoxazole-3-carboxylate
CID 76677
Ethyl 5-(hydroxymethyl)isoxazole-3-carboxylate
CID 8027233
3-Methylisoxazole-5-carboxylic acid ethyl ester
CID 10329487
Methyl 5-formyl-1,2-oxazole-3-carboxylate
CID 24976859
Methyl 3-acetylisoxazole-5-carboxylate
CID 10654692
5-(Fluoromethyl)-1,2-oxazole-3-carboxylic acid
CID 10374574
Ethyl 5-formylisoxazole-3-carboxylate
CID 14439317

Frequently Asked Questions

What is the IUPAC name of 5-(methoxymethyl)-1,2-oxazole-3-carboxylic acid?
The IUPAC name of 5-(methoxymethyl)-1,2-oxazole-3-carboxylic acid (CID 19374997) is 5-(methoxymethyl)-1,2-oxazole-3-carboxylic acid.
What is the SMILES notation for 5-(methoxymethyl)-1,2-oxazole-3-carboxylic acid?
The canonical SMILES for 5-(methoxymethyl)-1,2-oxazole-3-carboxylic acid is COCc1cc(C(=O)O)no1.
What is the InChIKey of 5-(methoxymethyl)-1,2-oxazole-3-carboxylic acid?
The InChIKey is ITLABBGKNGIQTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7NO4/c1-10-3-4-2-5(6(8)9)7-11-4/h2H,3H2,1H3,(H,8,9).
What are the key properties of 5-(methoxymethyl)-1,2-oxazole-3-carboxylic acid?
5-(methoxymethyl)-1,2-oxazole-3-carboxylic acid has a molecular weight of 157.12 g/mol, XLogP of 0.52, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methoxymethyl)-1,2-oxazole-3-carboxylic acid is sourced from PubChem (CID 19374997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).