4-methyl-5H-1,2-oxazole-4-carboxylic acid

C5H7NO3 — CID 20523652

IUPAC4-methyl-5H-1,2-oxazole-4-carboxylic acid
SMILESCC1(C(=O)O)C=NOC1
InChIInChI=1S/C5H7NO3/c1-5(4(7)8)2-6-9-3-5/h2H,3H2,1H3,(H,7,8)
InChIKeyVXSYGKQAGDUHQR-UHFFFAOYSA-N
MW129.11 g/mol
LogP0.09
Rot. Bonds1

About 4-methyl-5H-1,2-oxazole-4-carboxylic acid

4-methyl-5H-1,2-oxazole-4-carboxylic acid (PubChem CID 20523652) has the molecular formula C5H7NO3 and a molecular weight of 129.11 g/mol. Its IUPAC name is 4-methyl-5H-1,2-oxazole-4-carboxylic acid.

Molecular Properties

Compound Name4-methyl-5H-1,2-oxazole-4-carboxylic acid
PubChem CID20523652
Molecular FormulaC5H7NO3
Molecular Weight129.11 g/mol
Exact Mass129.04
IUPAC Name4-methyl-5H-1,2-oxazole-4-carboxylic acid
SMILESCC1(C(=O)O)C=NOC1
InChIInChI=1S/C5H7NO3/c1-5(4(7)8)2-6-9-3-5/h2H,3H2,1H3,(H,7,8)
InChIKeyVXSYGKQAGDUHQR-UHFFFAOYSA-N
XLogP0.09
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.11
LogP ≤ 50.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(Z)-ethylideneamino]oxypropanoic acid
CID 145139886
4,5-Dihydro-1,2-oxazole-4-carboxylic acid
CID 145560728
3-[(E)-2-methylpropylideneamino]oxypropanoic acid
CID 146240209
2-(Hydroxyiminomethyl)-2-methylpropanedioic acid
CID 154492390

Frequently Asked Questions

What is the IUPAC name of 4-methyl-5H-1,2-oxazole-4-carboxylic acid?
The IUPAC name of 4-methyl-5H-1,2-oxazole-4-carboxylic acid (CID 20523652) is 4-methyl-5H-1,2-oxazole-4-carboxylic acid.
What is the SMILES notation for 4-methyl-5H-1,2-oxazole-4-carboxylic acid?
The canonical SMILES for 4-methyl-5H-1,2-oxazole-4-carboxylic acid is CC1(C(=O)O)C=NOC1.
What is the InChIKey of 4-methyl-5H-1,2-oxazole-4-carboxylic acid?
The InChIKey is VXSYGKQAGDUHQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7NO3/c1-5(4(7)8)2-6-9-3-5/h2H,3H2,1H3,(H,7,8).
What are the key properties of 4-methyl-5H-1,2-oxazole-4-carboxylic acid?
4-methyl-5H-1,2-oxazole-4-carboxylic acid has a molecular weight of 129.11 g/mol, XLogP of 0.09, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5H-1,2-oxazole-4-carboxylic acid is sourced from PubChem (CID 20523652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).