hydrazinyl 3-(1,3-benzoxazol-2-ylsulfanyl)propanoate

C10H11N3O3S — CID 66337338

IUPAChydrazinyl 3-(1,3-benzoxazol-2-ylsulfanyl)propanoate
SMILESNNOC(=O)CCSc1nc2ccccc2o1
InChIInChI=1S/C10H11N3O3S/c11-13-16-9(14)5-6-17-10-12-7-3-1-2-4-8(7)15-10/h1-4,13H,5-6,11H2
InChIKeyHZOQFVXUTTXUNQ-UHFFFAOYSA-N
MW253.28 g/mol
LogP1.23
Rot. Bonds5

About hydrazinyl 3-(1,3-benzoxazol-2-ylsulfanyl)propanoate

hydrazinyl 3-(1,3-benzoxazol-2-ylsulfanyl)propanoate (PubChem CID 66337338) has the molecular formula C10H11N3O3S and a molecular weight of 253.28 g/mol. Its IUPAC name is hydrazinyl 3-(1,3-benzoxazol-2-ylsulfanyl)propanoate.

Molecular Properties

Compound Namehydrazinyl 3-(1,3-benzoxazol-2-ylsulfanyl)propanoate
PubChem CID66337338
Molecular FormulaC10H11N3O3S
Molecular Weight253.28 g/mol
Exact Mass253.05
IUPAC Namehydrazinyl 3-(1,3-benzoxazol-2-ylsulfanyl)propanoate
SMILESNNOC(=O)CCSc1nc2ccccc2o1
InChIInChI=1S/C10H11N3O3S/c11-13-16-9(14)5-6-17-10-12-7-3-1-2-4-8(7)15-10/h1-4,13H,5-6,11H2
InChIKeyHZOQFVXUTTXUNQ-UHFFFAOYSA-N
XLogP1.23
TPSA90.38 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.28
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

6-(1,3-benzoxazol-2-ylsulfanyl)hexan-3-one
CID 104623359
3-(1,3-benzoxazol-2-ylsulfanyl)-1-carbazol-9-ylpropan-1-one
CID 23945282
1,3-benzoxazol-2-ylmethyl 2-(1,3-benzoxazol-2-ylsulfanyl)acetate
CID 9458118
benzyl 2-(1,3-benzoxazol-2-ylsulfanyl)acetate
CID 690612
hydrazinyl 3-(4,6-diaminopyrimidin-2-yl)sulfanylpropanoate
CID 66337524
2-(3,3-dimethylbutylsulfanyl)-1,3-benzoxazole
CID 69292158
3-(1,3-benzoxazol-2-ylsulfanyl)propanal
CID 54119103
4-(1,3-benzoxazol-2-ylsulfanyl)butan-1-ol
CID 43510116
3-[3-(1,3-benzoxazol-2-ylsulfanyl)propanoylamino]benzoic acid
CID 23833277
3-(1,3-benzoxazol-2-ylsulfanyl)-2-chloropropanoic acid
CID 3108359
2-(4-chlorophenoxy)ethyl 2-(1,3-benzoxazol-2-ylsulfanyl)acetate
CID 7835978
3-(aminomethyl)-6-(1,3-benzoxazol-2-ylsulfanyl)hexan-3-ol
CID 106811625

Frequently Asked Questions

What is the IUPAC name of hydrazinyl 3-(1,3-benzoxazol-2-ylsulfanyl)propanoate?
The IUPAC name of hydrazinyl 3-(1,3-benzoxazol-2-ylsulfanyl)propanoate (CID 66337338) is hydrazinyl 3-(1,3-benzoxazol-2-ylsulfanyl)propanoate.
What is the SMILES notation for hydrazinyl 3-(1,3-benzoxazol-2-ylsulfanyl)propanoate?
The canonical SMILES for hydrazinyl 3-(1,3-benzoxazol-2-ylsulfanyl)propanoate is NNOC(=O)CCSc1nc2ccccc2o1.
What is the InChIKey of hydrazinyl 3-(1,3-benzoxazol-2-ylsulfanyl)propanoate?
The InChIKey is HZOQFVXUTTXUNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O3S/c11-13-16-9(14)5-6-17-10-12-7-3-1-2-4-8(7)15-10/h1-4,13H,5-6,11H2.
What are the key properties of hydrazinyl 3-(1,3-benzoxazol-2-ylsulfanyl)propanoate?
hydrazinyl 3-(1,3-benzoxazol-2-ylsulfanyl)propanoate has a molecular weight of 253.28 g/mol, XLogP of 1.23, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for hydrazinyl 3-(1,3-benzoxazol-2-ylsulfanyl)propanoate is sourced from PubChem (CID 66337338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).