4-(methoxymethyl)-2-(3-methyl-1,2-oxazol-5-yl)-1,3-oxazole-5-carboxylic acid

C10H10N2O5 — CID 114374014

IUPAC4-(methoxymethyl)-2-(3-methyl-1,2-oxazol-5-yl)-1,3-oxazole-5-carboxylic acid
SMILESCOCc1nc(-c2cc(C)no2)oc1C(=O)O
InChIInChI=1S/C10H10N2O5/c1-5-3-7(17-12-5)9-11-6(4-15-2)8(16-9)10(13)14/h3H,4H2,1-2H3,(H,13,14)
InChIKeyYPQSHQYTBSYYJT-UHFFFAOYSA-N
MW238.20 g/mol
LogP1.48
Rot. Bonds4

About 4-(methoxymethyl)-2-(3-methyl-1,2-oxazol-5-yl)-1,3-oxazole-5-carboxylic acid

4-(methoxymethyl)-2-(3-methyl-1,2-oxazol-5-yl)-1,3-oxazole-5-carboxylic acid (PubChem CID 114374014) has the molecular formula C10H10N2O5 and a molecular weight of 238.20 g/mol. Its IUPAC name is 4-(methoxymethyl)-2-(3-methyl-1,2-oxazol-5-yl)-1,3-oxazole-5-carboxylic acid.

Molecular Properties

Compound Name4-(methoxymethyl)-2-(3-methyl-1,2-oxazol-5-yl)-1,3-oxazole-5-carboxylic acid
PubChem CID114374014
Molecular FormulaC10H10N2O5
Molecular Weight238.20 g/mol
Exact Mass238.06
IUPAC Name4-(methoxymethyl)-2-(3-methyl-1,2-oxazol-5-yl)-1,3-oxazole-5-carboxylic acid
SMILESCOCc1nc(-c2cc(C)no2)oc1C(=O)O
InChIInChI=1S/C10H10N2O5/c1-5-3-7(17-12-5)9-11-6(4-15-2)8(16-9)10(13)14/h3H,4H2,1-2H3,(H,13,14)
InChIKeyYPQSHQYTBSYYJT-UHFFFAOYSA-N
XLogP1.48
TPSA98.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.20
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(methoxymethyl)-2-(3-methyl-1,2-oxazol-5-yl)-1,3-oxazole-5-carboxylic acid?
The IUPAC name of 4-(methoxymethyl)-2-(3-methyl-1,2-oxazol-5-yl)-1,3-oxazole-5-carboxylic acid (CID 114374014) is 4-(methoxymethyl)-2-(3-methyl-1,2-oxazol-5-yl)-1,3-oxazole-5-carboxylic acid.
What is the SMILES notation for 4-(methoxymethyl)-2-(3-methyl-1,2-oxazol-5-yl)-1,3-oxazole-5-carboxylic acid?
The canonical SMILES for 4-(methoxymethyl)-2-(3-methyl-1,2-oxazol-5-yl)-1,3-oxazole-5-carboxylic acid is COCc1nc(-c2cc(C)no2)oc1C(=O)O.
What is the InChIKey of 4-(methoxymethyl)-2-(3-methyl-1,2-oxazol-5-yl)-1,3-oxazole-5-carboxylic acid?
The InChIKey is YPQSHQYTBSYYJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O5/c1-5-3-7(17-12-5)9-11-6(4-15-2)8(16-9)10(13)14/h3H,4H2,1-2H3,(H,13,14).
What are the key properties of 4-(methoxymethyl)-2-(3-methyl-1,2-oxazol-5-yl)-1,3-oxazole-5-carboxylic acid?
4-(methoxymethyl)-2-(3-methyl-1,2-oxazol-5-yl)-1,3-oxazole-5-carboxylic acid has a molecular weight of 238.20 g/mol, XLogP of 1.48, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methoxymethyl)-2-(3-methyl-1,2-oxazol-5-yl)-1,3-oxazole-5-carboxylic acid is sourced from PubChem (CID 114374014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).