5-methyl-1,2-oxazole-3,4-dicarbohydrazide

C6H9N5O3 — CID 86186123

IUPAC5-methyl-1,2-oxazole-3,4-dicarbohydrazide
SMILESCc1onc(C(=O)NN)c1C(=O)NN
InChIInChI=1S/C6H9N5O3/c1-2-3(5(12)9-7)4(11-14-2)6(13)10-8/h7-8H2,1H3,(H,9,12)(H,10,13)
InChIKeyNCXJVFWLSCLFBJ-UHFFFAOYSA-N
MW199.17 g/mol
LogP-1.81
Rot. Bonds2

About 5-methyl-1,2-oxazole-3,4-dicarbohydrazide

5-methyl-1,2-oxazole-3,4-dicarbohydrazide (PubChem CID 86186123) has the molecular formula C6H9N5O3 and a molecular weight of 199.17 g/mol. Its IUPAC name is 5-methyl-1,2-oxazole-3,4-dicarbohydrazide.

Molecular Properties

Compound Name5-methyl-1,2-oxazole-3,4-dicarbohydrazide
PubChem CID86186123
Molecular FormulaC6H9N5O3
Molecular Weight199.17 g/mol
Exact Mass199.07
IUPAC Name5-methyl-1,2-oxazole-3,4-dicarbohydrazide
SMILESCc1onc(C(=O)NN)c1C(=O)NN
InChIInChI=1S/C6H9N5O3/c1-2-3(5(12)9-7)4(11-14-2)6(13)10-8/h7-8H2,1H3,(H,9,12)(H,10,13)
InChIKeyNCXJVFWLSCLFBJ-UHFFFAOYSA-N
XLogP-1.81
TPSA136.27 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.17
LogP ≤ 5-1.81
H-Bond Donors ≤ 54
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

Isoxazolo(3,4-d)pyridazin-7(6H)-one, 3,4-dimethyl-
CID 27538
3,5-dimethyl-N'-propan-2-yl-1,2-oxazole-4-carbohydrazide
CID 90679866
4-Fluoro-5-methyl-1,2-oxazole-3-carbohydrazide
CID 172561389
N'-amino-4-propan-2-yl-5-(trifluoromethyl)-1,2-oxazole-3-carbohydrazide
CID 176065938
5-(Difluoromethyl)-4-ethyl-1,2-oxazole-3-carboxamide
CID 176065941
4-Ethyl-5-(trifluoromethyl)-1,2-oxazole-3-carboxamide
CID 176065945
2-(Dimethyl-1,2-oxazol-4-yl)acetohydrazide
CID 33702447
3-Methyl-1,2-oxazole-4,5-dicarbohydrazide
CID 13593357
3-Methyl-5,6-dihydroisoxazolo[4,5-d]pyridazine-4,7-dione
CID 13593358
3-Methyl-5,6-dihydroisoxazolo[3,4-d]pyridazine-4,7-dione
CID 72942980
N'-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]cyclopropanecarbohydrazide
CID 34261196
4-acetyl-N,5-dimethyl-1,2-oxazole-3-carboxamide
CID 44604607

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1,2-oxazole-3,4-dicarbohydrazide?
The IUPAC name of 5-methyl-1,2-oxazole-3,4-dicarbohydrazide (CID 86186123) is 5-methyl-1,2-oxazole-3,4-dicarbohydrazide.
What is the SMILES notation for 5-methyl-1,2-oxazole-3,4-dicarbohydrazide?
The canonical SMILES for 5-methyl-1,2-oxazole-3,4-dicarbohydrazide is Cc1onc(C(=O)NN)c1C(=O)NN.
What is the InChIKey of 5-methyl-1,2-oxazole-3,4-dicarbohydrazide?
The InChIKey is NCXJVFWLSCLFBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N5O3/c1-2-3(5(12)9-7)4(11-14-2)6(13)10-8/h7-8H2,1H3,(H,9,12)(H,10,13).
What are the key properties of 5-methyl-1,2-oxazole-3,4-dicarbohydrazide?
5-methyl-1,2-oxazole-3,4-dicarbohydrazide has a molecular weight of 199.17 g/mol, XLogP of -1.81, 2 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1,2-oxazole-3,4-dicarbohydrazide is sourced from PubChem (CID 86186123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).