3-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]propanehydrazide

C8H13N3O2S — CID 106926292

IUPAC3-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]propanehydrazide
SMILESCc1nc(SCCC(=O)NN)oc1C
InChIInChI=1S/C8H13N3O2S/c1-5-6(2)13-8(10-5)14-4-3-7(12)11-9/h3-4,9H2,1-2H3,(H,11,12)
InChIKeyYFKFLZZJQMJJLR-UHFFFAOYSA-N
MW215.28 g/mol
LogP0.76
Rot. Bonds4

About 3-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]propanehydrazide

3-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]propanehydrazide (PubChem CID 106926292) has the molecular formula C8H13N3O2S and a molecular weight of 215.28 g/mol. Its IUPAC name is 3-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]propanehydrazide.

Molecular Properties

Compound Name3-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]propanehydrazide
PubChem CID106926292
Molecular FormulaC8H13N3O2S
Molecular Weight215.28 g/mol
Exact Mass215.07
IUPAC Name3-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]propanehydrazide
SMILESCc1nc(SCCC(=O)NN)oc1C
InChIInChI=1S/C8H13N3O2S/c1-5-6(2)13-8(10-5)14-4-3-7(12)11-9/h3-4,9H2,1-2H3,(H,11,12)
InChIKeyYFKFLZZJQMJJLR-UHFFFAOYSA-N
XLogP0.76
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 ≤ 50.76
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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Related Compounds

2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-propylpropanamide
CID 71684783
4,5-Dimethyl-2-propylsulfanyl-1,3-oxazole
CID 54110065
1-[(4,5-Dimethyl-1,3-oxazol-2-yl)sulfanyl]propan-2-one
CID 9458478
2-[(4,5-Dimethyl-1,3-oxazol-2-yl)sulfanyl]acetamide
CID 9458547
3-[(4,5-Dimethyl-1,3-oxazol-2-yl)sulfanyl]propanoate
CID 9484298
N-tert-butyl-2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]acetamide
CID 16484727
2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-ethylacetamide
CID 40129274
(2R)-2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-propylpropanamide
CID 52581849
(2S)-2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-propylpropanamide
CID 52581850
N-carbamoyl-3-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]propanamide
CID 53557738
N'-[2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]propanoyl]-3-methylbutanehydrazide
CID 53588089
5-[(4,5-Dimethyl-1,3-oxazol-2-yl)sulfanyl]pentan-2-one
CID 78862425

Frequently Asked Questions

What is the IUPAC name of 3-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]propanehydrazide?
The IUPAC name of 3-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]propanehydrazide (CID 106926292) is 3-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]propanehydrazide.
What is the SMILES notation for 3-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]propanehydrazide?
The canonical SMILES for 3-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]propanehydrazide is Cc1nc(SCCC(=O)NN)oc1C.
What is the InChIKey of 3-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]propanehydrazide?
The InChIKey is YFKFLZZJQMJJLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O2S/c1-5-6(2)13-8(10-5)14-4-3-7(12)11-9/h3-4,9H2,1-2H3,(H,11,12).
What are the key properties of 3-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]propanehydrazide?
3-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]propanehydrazide has a molecular weight of 215.28 g/mol, XLogP of 0.76, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]propanehydrazide is sourced from PubChem (CID 106926292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).