2,2-dimethyl-3-(1,3-oxazol-2-ylsulfanyl)propanehydrazide

C8H13N3O2S — CID 106926213

IUPAC2,2-dimethyl-3-(1,3-oxazol-2-ylsulfanyl)propanehydrazide
SMILESCC(C)(CSc1ncco1)C(=O)NN
InChIInChI=1S/C8H13N3O2S/c1-8(2,6(12)11-9)5-14-7-10-3-4-13-7/h3-4H,5,9H2,1-2H3,(H,11,12)
InChIKeyDRGVEVPMFWQCBT-UHFFFAOYSA-N
MW215.28 g/mol
LogP0.78
Rot. Bonds4

About 2,2-dimethyl-3-(1,3-oxazol-2-ylsulfanyl)propanehydrazide

2,2-dimethyl-3-(1,3-oxazol-2-ylsulfanyl)propanehydrazide (PubChem CID 106926213) has the molecular formula C8H13N3O2S and a molecular weight of 215.28 g/mol. Its IUPAC name is 2,2-dimethyl-3-(1,3-oxazol-2-ylsulfanyl)propanehydrazide.

Molecular Properties

Compound Name2,2-dimethyl-3-(1,3-oxazol-2-ylsulfanyl)propanehydrazide
PubChem CID106926213
Molecular FormulaC8H13N3O2S
Molecular Weight215.28 g/mol
Exact Mass215.07
IUPAC Name2,2-dimethyl-3-(1,3-oxazol-2-ylsulfanyl)propanehydrazide
SMILESCC(C)(CSc1ncco1)C(=O)NN
InChIInChI=1S/C8H13N3O2S/c1-8(2,6(12)11-9)5-14-7-10-3-4-13-7/h3-4H,5,9H2,1-2H3,(H,11,12)
InChIKeyDRGVEVPMFWQCBT-UHFFFAOYSA-N
XLogP0.78
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.28
LogP ≤ 50.78
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 2,2-dimethyl-3-(1,3-oxazol-2-ylsulfanyl)propanehydrazide?
The IUPAC name of 2,2-dimethyl-3-(1,3-oxazol-2-ylsulfanyl)propanehydrazide (CID 106926213) is 2,2-dimethyl-3-(1,3-oxazol-2-ylsulfanyl)propanehydrazide.
What is the SMILES notation for 2,2-dimethyl-3-(1,3-oxazol-2-ylsulfanyl)propanehydrazide?
The canonical SMILES for 2,2-dimethyl-3-(1,3-oxazol-2-ylsulfanyl)propanehydrazide is CC(C)(CSc1ncco1)C(=O)NN.
What is the InChIKey of 2,2-dimethyl-3-(1,3-oxazol-2-ylsulfanyl)propanehydrazide?
The InChIKey is DRGVEVPMFWQCBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O2S/c1-8(2,6(12)11-9)5-14-7-10-3-4-13-7/h3-4H,5,9H2,1-2H3,(H,11,12).
What are the key properties of 2,2-dimethyl-3-(1,3-oxazol-2-ylsulfanyl)propanehydrazide?
2,2-dimethyl-3-(1,3-oxazol-2-ylsulfanyl)propanehydrazide has a molecular weight of 215.28 g/mol, XLogP of 0.78, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-(1,3-oxazol-2-ylsulfanyl)propanehydrazide is sourced from PubChem (CID 106926213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).