3-methyl-5-(5-methyl-1,2-oxazol-3-yl)-1,2-oxazole-4-carbohydrazide

C9H10N4O3 — CID 2744821

IUPAC3-methyl-5-(5-methyl-1,2-oxazol-3-yl)-1,2-oxazole-4-carbohydrazide
SMILESCc1cc(-c2onc(C)c2C(=O)NN)no1
InChIInChI=1S/C9H10N4O3/c1-4-3-6(13-15-4)8-7(9(14)11-10)5(2)12-16-8/h3H,10H2,1-2H3,(H,11,14)
InChIKeyDQIABXGPBIBXTH-UHFFFAOYSA-N
MW222.20 g/mol
LogP0.55
Rot. Bonds2

About 3-methyl-5-(5-methyl-1,2-oxazol-3-yl)-1,2-oxazole-4-carbohydrazide

3-methyl-5-(5-methyl-1,2-oxazol-3-yl)-1,2-oxazole-4-carbohydrazide (PubChem CID 2744821) has the molecular formula C9H10N4O3 and a molecular weight of 222.20 g/mol. Its IUPAC name is 3-methyl-5-(5-methyl-1,2-oxazol-3-yl)-1,2-oxazole-4-carbohydrazide.

Molecular Properties

Compound Name3-methyl-5-(5-methyl-1,2-oxazol-3-yl)-1,2-oxazole-4-carbohydrazide
PubChem CID2744821
Molecular FormulaC9H10N4O3
Molecular Weight222.20 g/mol
Exact Mass222.08
IUPAC Name3-methyl-5-(5-methyl-1,2-oxazol-3-yl)-1,2-oxazole-4-carbohydrazide
SMILESCc1cc(-c2onc(C)c2C(=O)NN)no1
InChIInChI=1S/C9H10N4O3/c1-4-3-6(13-15-4)8-7(9(14)11-10)5(2)12-16-8/h3H,10H2,1-2H3,(H,11,14)
InChIKeyDQIABXGPBIBXTH-UHFFFAOYSA-N
XLogP0.55
TPSA107.18 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.20
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

3-methyl-N-[(2E,4Z)-6-methylhepta-2,4,6-trien-3-yl]-5-(5-methyl-1,2-oxazol-3-yl)-1,2-oxazole-4-carboxamide
CID 142308828
N'-[2-(3,4-difluorophenyl)acetyl]-3-methyl-5-(5-methyl-1,2-oxazol-3-yl)-1,2-oxazole-4-carbohydrazide
CID 6736047
[3-methyl-5-(5-methyl-1,2-oxazol-3-yl)-1,2-oxazol-4-yl]methyl acetate
CID 2744858
3-methyl-5-(5-methyl-1,2-oxazol-3-yl)-N-[3-[(4-oxo-3H-phthalazin-1-yl)methyl]phenyl]-1,2-oxazole-4-carboxamide
CID 70867849
3-methyl-5-(5-methyl-1,2-oxazol-3-yl)-N-(4-oxo-2-phenylchromen-6-yl)-1,2-oxazole-4-carboxamide
CID 155531787
3-methyl-5-(5-methyl-1,2-oxazol-3-yl)-4-propan-2-yl-1,2-oxazole
CID 146910981
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[3-(5-methyl-1,2-oxazol-3-yl)-1,2,4-oxadiazol-5-yl]methyl]acetamide
CID 91819244
5-(5-methyl-1,2-oxazol-3-yl)-1,2-oxazole-4-carboxylic acid
CID 131400101
methyl 5-methyl-3-(5-methyl-1,2-oxazol-3-yl)-1H-pyrazole-4-carboxylate
CID 2744662
ethyl 5-methyl-3-(5-methyl-1,2-oxazol-3-yl)-1,2-oxazole-4-carboxylate
CID 134367383
N-(2-amino-2-oxoethyl)-5-methyl-1,2-oxazole-3-carboxamide
CID 60668189
2-[4-methyl-2-(5-methyl-1,2-oxazol-3-yl)-1,3-thiazol-5-yl]acetamide
CID 141277958

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-(5-methyl-1,2-oxazol-3-yl)-1,2-oxazole-4-carbohydrazide?
The IUPAC name of 3-methyl-5-(5-methyl-1,2-oxazol-3-yl)-1,2-oxazole-4-carbohydrazide (CID 2744821) is 3-methyl-5-(5-methyl-1,2-oxazol-3-yl)-1,2-oxazole-4-carbohydrazide.
What is the SMILES notation for 3-methyl-5-(5-methyl-1,2-oxazol-3-yl)-1,2-oxazole-4-carbohydrazide?
The canonical SMILES for 3-methyl-5-(5-methyl-1,2-oxazol-3-yl)-1,2-oxazole-4-carbohydrazide is Cc1cc(-c2onc(C)c2C(=O)NN)no1.
What is the InChIKey of 3-methyl-5-(5-methyl-1,2-oxazol-3-yl)-1,2-oxazole-4-carbohydrazide?
The InChIKey is DQIABXGPBIBXTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4O3/c1-4-3-6(13-15-4)8-7(9(14)11-10)5(2)12-16-8/h3H,10H2,1-2H3,(H,11,14).
What are the key properties of 3-methyl-5-(5-methyl-1,2-oxazol-3-yl)-1,2-oxazole-4-carbohydrazide?
3-methyl-5-(5-methyl-1,2-oxazol-3-yl)-1,2-oxazole-4-carbohydrazide has a molecular weight of 222.20 g/mol, XLogP of 0.55, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-(5-methyl-1,2-oxazol-3-yl)-1,2-oxazole-4-carbohydrazide is sourced from PubChem (CID 2744821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).