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

C9H15N3O2S — CID 106926315

IUPAC2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]butanehydrazide
SMILESCCC(Sc1nc(C)c(C)o1)C(=O)NN
InChIInChI=1S/C9H15N3O2S/c1-4-7(8(13)12-10)15-9-11-5(2)6(3)14-9/h7H,4,10H2,1-3H3,(H,12,13)
InChIKeyVHPJWFKFMZJUKP-UHFFFAOYSA-N
MW229.30 g/mol
LogP1.15
Rot. Bonds4

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

2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]butanehydrazide (PubChem CID 106926315) has the molecular formula C9H15N3O2S and a molecular weight of 229.30 g/mol. Its IUPAC name is 2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]butanehydrazide.

Molecular Properties

Compound Name2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]butanehydrazide
PubChem CID106926315
Molecular FormulaC9H15N3O2S
Molecular Weight229.30 g/mol
Exact Mass229.09
IUPAC Name2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]butanehydrazide
SMILESCCC(Sc1nc(C)c(C)o1)C(=O)NN
InChIInChI=1S/C9H15N3O2S/c1-4-7(8(13)12-10)15-9-11-5(2)6(3)14-9/h7H,4,10H2,1-3H3,(H,12,13)
InChIKeyVHPJWFKFMZJUKP-UHFFFAOYSA-N
XLogP1.15
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.30
LogP ≤ 51.15
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]-3-methylbutanehydrazide
CID 106926301
2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-propylpropanamide
CID 71684783
3-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]propanehydrazide
CID 106926292
2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-(methylcarbamoyl)propanamide
CID 75413796
5-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]pentanehydrazide
CID 106926298
ethyl 3-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]propanoate
CID 106920911
2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]butanehydrazide
CID 63580902
2-(2,5-dichlorophenyl)sulfanylbutanehydrazide
CID 63582266
2-(1,3-benzoxazol-2-ylsulfanyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)butanamide
CID 2891360
2-[(3-amino-4-pyridinyl)sulfanyl]butanehydrazide
CID 63581272
2-pyrimidin-4-ylsulfanylbutanehydrazide
CID 63697154
N-[4-(1-hydrazinyl-1-oxobutan-2-yl)sulfanylphenyl]acetamide
CID 63582470

Frequently Asked Questions

What is the IUPAC name of 2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]butanehydrazide?
The IUPAC name of 2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]butanehydrazide (CID 106926315) is 2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]butanehydrazide.
What is the SMILES notation for 2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]butanehydrazide?
The canonical SMILES for 2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]butanehydrazide is CCC(Sc1nc(C)c(C)o1)C(=O)NN.
What is the InChIKey of 2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]butanehydrazide?
The InChIKey is VHPJWFKFMZJUKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2S/c1-4-7(8(13)12-10)15-9-11-5(2)6(3)14-9/h7H,4,10H2,1-3H3,(H,12,13).
What are the key properties of 2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]butanehydrazide?
2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]butanehydrazide has a molecular weight of 229.30 g/mol, XLogP of 1.15, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]butanehydrazide is sourced from PubChem (CID 106926315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).