3-methyl-5-thiophen-2-yl-1,2-oxazole-4-carbohydrazide

C9H9N3O2S — CID 2744087

IUPAC3-methyl-5-thiophen-2-yl-1,2-oxazole-4-carbohydrazide
SMILESCc1noc(-c2cccs2)c1C(=O)NN
InChIInChI=1S/C9H9N3O2S/c1-5-7(9(13)11-10)8(14-12-5)6-3-2-4-15-6/h2-4H,10H2,1H3,(H,11,13)
InChIKeyZOEZIGXZFKVVFJ-UHFFFAOYSA-N
MW223.26 g/mol
LogP1.32
Rot. Bonds2

About 3-methyl-5-thiophen-2-yl-1,2-oxazole-4-carbohydrazide

3-methyl-5-thiophen-2-yl-1,2-oxazole-4-carbohydrazide (PubChem CID 2744087) has the molecular formula C9H9N3O2S and a molecular weight of 223.26 g/mol. Its IUPAC name is 3-methyl-5-thiophen-2-yl-1,2-oxazole-4-carbohydrazide.

Molecular Properties

Compound Name3-methyl-5-thiophen-2-yl-1,2-oxazole-4-carbohydrazide
PubChem CID2744087
Molecular FormulaC9H9N3O2S
Molecular Weight223.26 g/mol
Exact Mass223.04
IUPAC Name3-methyl-5-thiophen-2-yl-1,2-oxazole-4-carbohydrazide
SMILESCc1noc(-c2cccs2)c1C(=O)NN
InChIInChI=1S/C9H9N3O2S/c1-5-7(9(13)11-10)8(14-12-5)6-3-2-4-15-6/h2-4H,10H2,1H3,(H,11,13)
InChIKeyZOEZIGXZFKVVFJ-UHFFFAOYSA-N
XLogP1.32
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.26
LogP ≤ 51.32
H-Bond Donors ≤ 52
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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Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-thiophen-2-yl-1,2-oxazole-4-carbohydrazide?
The IUPAC name of 3-methyl-5-thiophen-2-yl-1,2-oxazole-4-carbohydrazide (CID 2744087) is 3-methyl-5-thiophen-2-yl-1,2-oxazole-4-carbohydrazide.
What is the SMILES notation for 3-methyl-5-thiophen-2-yl-1,2-oxazole-4-carbohydrazide?
The canonical SMILES for 3-methyl-5-thiophen-2-yl-1,2-oxazole-4-carbohydrazide is Cc1noc(-c2cccs2)c1C(=O)NN.
What is the InChIKey of 3-methyl-5-thiophen-2-yl-1,2-oxazole-4-carbohydrazide?
The InChIKey is ZOEZIGXZFKVVFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O2S/c1-5-7(9(13)11-10)8(14-12-5)6-3-2-4-15-6/h2-4H,10H2,1H3,(H,11,13).
What are the key properties of 3-methyl-5-thiophen-2-yl-1,2-oxazole-4-carbohydrazide?
3-methyl-5-thiophen-2-yl-1,2-oxazole-4-carbohydrazide has a molecular weight of 223.26 g/mol, XLogP of 1.32, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-thiophen-2-yl-1,2-oxazole-4-carbohydrazide is sourced from PubChem (CID 2744087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).