4-(hydrazinecarbonyl)-5-methyl-1,2-oxazole-3-carboxylic acid

C6H7N3O4 — CID 66545777

IUPAC4-(hydrazinecarbonyl)-5-methyl-1,2-oxazole-3-carboxylic acid
SMILESCc1onc(C(=O)O)c1C(=O)NN
InChIInChI=1S/C6H7N3O4/c1-2-3(5(10)8-7)4(6(11)12)9-13-2/h7H2,1H3,(H,8,10)(H,11,12)
InChIKeyWYKBREXSOIFZMJ-UHFFFAOYSA-N
MW185.14 g/mol
LogP-0.72
Rot. Bonds2

About 4-(hydrazinecarbonyl)-5-methyl-1,2-oxazole-3-carboxylic acid

4-(hydrazinecarbonyl)-5-methyl-1,2-oxazole-3-carboxylic acid (PubChem CID 66545777) has the molecular formula C6H7N3O4 and a molecular weight of 185.14 g/mol. Its IUPAC name is 4-(hydrazinecarbonyl)-5-methyl-1,2-oxazole-3-carboxylic acid.

Molecular Properties

Compound Name4-(hydrazinecarbonyl)-5-methyl-1,2-oxazole-3-carboxylic acid
PubChem CID66545777
Molecular FormulaC6H7N3O4
Molecular Weight185.14 g/mol
Exact Mass185.04
IUPAC Name4-(hydrazinecarbonyl)-5-methyl-1,2-oxazole-3-carboxylic acid
SMILESCc1onc(C(=O)O)c1C(=O)NN
InChIInChI=1S/C6H7N3O4/c1-2-3(5(10)8-7)4(6(11)12)9-13-2/h7H2,1H3,(H,8,10)(H,11,12)
InChIKeyWYKBREXSOIFZMJ-UHFFFAOYSA-N
XLogP-0.72
TPSA118.45 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.14
LogP ≤ 5-0.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4,5-dimethyl-1,2-oxazole-3-carboxylic acid
CID 7018552
5-methyl-1,2-oxazole-3,4-dicarboxamide
CID 1489841
4-(bromomethyl)-5-methyl-1,2-oxazole-3-carboxylic acid
CID 166604179
5-methyl-4-nitroso-1,2-oxazole-3-carboxylic acid
CID 174891313
4-[(E)-N-anilino-C-methylcarbonimidoyl]-5-methyl-1,2-oxazole-3-carboxylic acid
CID 46229692
3-ethyl-5-methyl-1,2-oxazole-4-carboxylic acid
CID 2063310
3-bromo-5-methyl-1,2-oxazole-4-carboxylic acid
CID 10798301
4-amino-N,5-dimethyl-1,2-oxazole-3-carboxamide
CID 67264142
5-[(3,5-dimethyl-1,2-oxazole-4-carbonyl)amino]pentanoic acid
CID 62032150
3-(2-amino-2-carboxyethyl)-5-methyl-1,2-oxazole-4-carboxylic acid
CID 10398313
3-[(4,5-dimethyl-1,2-oxazole-3-carbonyl)amino]butanoic acid
CID 110836475
3-[(1S)-1-amino-3-methylbutyl]-5-methyl-1,2-oxazole-4-carboxylic acid
CID 100983614

Frequently Asked Questions

What is the IUPAC name of 4-(hydrazinecarbonyl)-5-methyl-1,2-oxazole-3-carboxylic acid?
The IUPAC name of 4-(hydrazinecarbonyl)-5-methyl-1,2-oxazole-3-carboxylic acid (CID 66545777) is 4-(hydrazinecarbonyl)-5-methyl-1,2-oxazole-3-carboxylic acid.
What is the SMILES notation for 4-(hydrazinecarbonyl)-5-methyl-1,2-oxazole-3-carboxylic acid?
The canonical SMILES for 4-(hydrazinecarbonyl)-5-methyl-1,2-oxazole-3-carboxylic acid is Cc1onc(C(=O)O)c1C(=O)NN.
What is the InChIKey of 4-(hydrazinecarbonyl)-5-methyl-1,2-oxazole-3-carboxylic acid?
The InChIKey is WYKBREXSOIFZMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N3O4/c1-2-3(5(10)8-7)4(6(11)12)9-13-2/h7H2,1H3,(H,8,10)(H,11,12).
What are the key properties of 4-(hydrazinecarbonyl)-5-methyl-1,2-oxazole-3-carboxylic acid?
4-(hydrazinecarbonyl)-5-methyl-1,2-oxazole-3-carboxylic acid has a molecular weight of 185.14 g/mol, XLogP of -0.72, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(hydrazinecarbonyl)-5-methyl-1,2-oxazole-3-carboxylic acid is sourced from PubChem (CID 66545777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).