5-[5-(methoxymethyl)-1,2-oxazol-3-yl]-1,2,4-oxadiazole-3-carboxylic acid

C8H7N3O5 — CID 66157603

IUPAC5-[5-(methoxymethyl)-1,2-oxazol-3-yl]-1,2,4-oxadiazole-3-carboxylic acid
SMILESCOCc1cc(-c2nc(C(=O)O)no2)no1
InChIInChI=1S/C8H7N3O5/c1-14-3-4-2-5(10-15-4)7-9-6(8(12)13)11-16-7/h2H,3H2,1H3,(H,12,13)
InChIKeyKVSJFFZDDJNPCA-UHFFFAOYSA-N
MW225.16 g/mol
LogP0.57
Rot. Bonds4

About 5-[5-(methoxymethyl)-1,2-oxazol-3-yl]-1,2,4-oxadiazole-3-carboxylic acid

5-[5-(methoxymethyl)-1,2-oxazol-3-yl]-1,2,4-oxadiazole-3-carboxylic acid (PubChem CID 66157603) has the molecular formula C8H7N3O5 and a molecular weight of 225.16 g/mol. Its IUPAC name is 5-[5-(methoxymethyl)-1,2-oxazol-3-yl]-1,2,4-oxadiazole-3-carboxylic acid.

Molecular Properties

Compound Name5-[5-(methoxymethyl)-1,2-oxazol-3-yl]-1,2,4-oxadiazole-3-carboxylic acid
PubChem CID66157603
Molecular FormulaC8H7N3O5
Molecular Weight225.16 g/mol
Exact Mass225.04
IUPAC Name5-[5-(methoxymethyl)-1,2-oxazol-3-yl]-1,2,4-oxadiazole-3-carboxylic acid
SMILESCOCc1cc(-c2nc(C(=O)O)no2)no1
InChIInChI=1S/C8H7N3O5/c1-14-3-4-2-5(10-15-4)7-9-6(8(12)13)11-16-7/h2H,3H2,1H3,(H,12,13)
InChIKeyKVSJFFZDDJNPCA-UHFFFAOYSA-N
XLogP0.57
TPSA111.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.16
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

ethyl 5-[5-(methoxymethyl)-1,2-oxazol-3-yl]-1,2,4-oxadiazole-3-carboxylate
CID 66157601
2-ethoxy-1-[5-[5-(methoxymethyl)-1,2-oxazol-3-yl]-1,2,4-oxadiazol-3-yl]ethanamine
CID 104633923
1-ethoxy-2-[5-[5-(methoxymethyl)-1,2-oxazol-3-yl]-1,2,4-oxadiazol-3-yl]propan-2-amine
CID 104636665
ethyl 5-[5-(methoxymethyl)-1,2-oxazol-3-yl]-1-methyl-1,2,4-triazole-3-carboxylate
CID 66158183
methyl 5-(methoxymethyl)-1,2-oxazole-3-carboxylate
CID 13371025
5-amino-2-[5-(methoxymethyl)-1,2-oxazol-3-yl]-1,3-oxazole-4-carbonitrile
CID 66155821
5-(methoxymethyl)-3-(5-methyl-1H-1,2,4-triazol-3-yl)-1,2-oxazole
CID 66158539
5-(1-methyltriazol-4-yl)-1,2,4-oxadiazole-3-carboxylic acid
CID 130521162
3-chloro-2-[[5-(methoxymethyl)-1,2-oxazole-3-carbonyl]amino]benzoic acid
CID 107047018
ethyl 5-(1,2-oxazol-3-yl)-1,2,4-oxadiazole-3-carboxylate;5-(1,2-oxazol-3-yl)-1,2,4-oxadiazole-3-carboxylic acid
CID 70982255
5-(2-methoxy-4-methylphenyl)-1,2,4-oxadiazole-3-carboxylic acid
CID 82663419
5-(4-bromo-2-methoxyphenyl)-1,2,4-oxadiazole-3-carboxylic acid
CID 115370000

Frequently Asked Questions

What is the IUPAC name of 5-[5-(methoxymethyl)-1,2-oxazol-3-yl]-1,2,4-oxadiazole-3-carboxylic acid?
The IUPAC name of 5-[5-(methoxymethyl)-1,2-oxazol-3-yl]-1,2,4-oxadiazole-3-carboxylic acid (CID 66157603) is 5-[5-(methoxymethyl)-1,2-oxazol-3-yl]-1,2,4-oxadiazole-3-carboxylic acid.
What is the SMILES notation for 5-[5-(methoxymethyl)-1,2-oxazol-3-yl]-1,2,4-oxadiazole-3-carboxylic acid?
The canonical SMILES for 5-[5-(methoxymethyl)-1,2-oxazol-3-yl]-1,2,4-oxadiazole-3-carboxylic acid is COCc1cc(-c2nc(C(=O)O)no2)no1.
What is the InChIKey of 5-[5-(methoxymethyl)-1,2-oxazol-3-yl]-1,2,4-oxadiazole-3-carboxylic acid?
The InChIKey is KVSJFFZDDJNPCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N3O5/c1-14-3-4-2-5(10-15-4)7-9-6(8(12)13)11-16-7/h2H,3H2,1H3,(H,12,13).
What are the key properties of 5-[5-(methoxymethyl)-1,2-oxazol-3-yl]-1,2,4-oxadiazole-3-carboxylic acid?
5-[5-(methoxymethyl)-1,2-oxazol-3-yl]-1,2,4-oxadiazole-3-carboxylic acid has a molecular weight of 225.16 g/mol, XLogP of 0.57, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-(methoxymethyl)-1,2-oxazol-3-yl]-1,2,4-oxadiazole-3-carboxylic acid is sourced from PubChem (CID 66157603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).