5-methyl-4-nitroso-1,2-oxazole-3-carboxylic acid

C5H4N2O4 — CID 174891313

IUPAC5-methyl-4-nitroso-1,2-oxazole-3-carboxylic acid
SMILESCc1onc(C(=O)O)c1N=O
InChIInChI=1S/C5H4N2O4/c1-2-3(6-10)4(5(8)9)7-11-2/h1H3,(H,8,9)
InChIKeyRXZDBIZCVYNFAW-UHFFFAOYSA-N
MW156.10 g/mol
LogP1.08
Rot. Bonds2

About 5-methyl-4-nitroso-1,2-oxazole-3-carboxylic acid

5-methyl-4-nitroso-1,2-oxazole-3-carboxylic acid (PubChem CID 174891313) has the molecular formula C5H4N2O4 and a molecular weight of 156.10 g/mol. Its IUPAC name is 5-methyl-4-nitroso-1,2-oxazole-3-carboxylic acid.

Molecular Properties

Compound Name5-methyl-4-nitroso-1,2-oxazole-3-carboxylic acid
PubChem CID174891313
Molecular FormulaC5H4N2O4
Molecular Weight156.10 g/mol
Exact Mass156.02
IUPAC Name5-methyl-4-nitroso-1,2-oxazole-3-carboxylic acid
SMILESCc1onc(C(=O)O)c1N=O
InChIInChI=1S/C5H4N2O4/c1-2-3(6-10)4(5(8)9)7-11-2/h1H3,(H,8,9)
InChIKeyRXZDBIZCVYNFAW-UHFFFAOYSA-N
XLogP1.08
TPSA92.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.10
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4,5-dimethyl-1,2-oxazole-3-carboxylic acid
CID 7018552
4-(bromomethyl)-5-methyl-1,2-oxazole-3-carboxylic acid
CID 166604179
4-(hydrazinecarbonyl)-5-methyl-1,2-oxazole-3-carboxylic acid
CID 66545777
4-cyclopentyl-5-methyl-1,2-oxazole-3-carboxylic acid
CID 83637343
4,5-dimethyl-1,2-oxazole-3-carboxylate
CID 7018551
4-[(E)-N-anilino-C-methylcarbonimidoyl]-5-methyl-1,2-oxazole-3-carboxylic acid
CID 46229692
5-ethenyl-4-methyl-1,2-oxazole-3-carboxylic acid
CID 118511030
3-bromo-5-methyl-1,2-oxazole-4-carboxylic acid
CID 10798301
5-methyl-1,2-oxazole-3,4-dicarboxamide
CID 1489841
4-(4-fluoro-3-methylphenyl)-5-methyl-1,2-oxazole-3-carboxylic acid
CID 82476085
4-[(4-chlorophenyl)sulfanylmethyl]-5-methyl-1,2-oxazole-3-carboxylic acid
CID 71651898
3-ethyl-5-methyl-1,2-oxazole-4-carboxylic acid
CID 2063310

Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-nitroso-1,2-oxazole-3-carboxylic acid?
The IUPAC name of 5-methyl-4-nitroso-1,2-oxazole-3-carboxylic acid (CID 174891313) is 5-methyl-4-nitroso-1,2-oxazole-3-carboxylic acid.
What is the SMILES notation for 5-methyl-4-nitroso-1,2-oxazole-3-carboxylic acid?
The canonical SMILES for 5-methyl-4-nitroso-1,2-oxazole-3-carboxylic acid is Cc1onc(C(=O)O)c1N=O.
What is the InChIKey of 5-methyl-4-nitroso-1,2-oxazole-3-carboxylic acid?
The InChIKey is RXZDBIZCVYNFAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4N2O4/c1-2-3(6-10)4(5(8)9)7-11-2/h1H3,(H,8,9).
What are the key properties of 5-methyl-4-nitroso-1,2-oxazole-3-carboxylic acid?
5-methyl-4-nitroso-1,2-oxazole-3-carboxylic acid has a molecular weight of 156.10 g/mol, XLogP of 1.08, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-nitroso-1,2-oxazole-3-carboxylic acid is sourced from PubChem (CID 174891313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).