5-(cyclopentylmethylsulfanylmethyl)-1,2-oxazole-3-carbohydrazide

C11H17N3O2S — CID 55213330

IUPAC5-(cyclopentylmethylsulfanylmethyl)-1,2-oxazole-3-carbohydrazide
SMILESNNC(=O)c1cc(CSCC2CCCC2)on1
InChIInChI=1S/C11H17N3O2S/c12-13-11(15)10-5-9(16-14-10)7-17-6-8-3-1-2-4-8/h5,8H,1-4,6-7,12H2,(H,13,15)
InChIKeyPIEHUMWQQNIMMQ-UHFFFAOYSA-N
MW255.34 g/mol
LogP1.70
Rot. Bonds5

About 5-(cyclopentylmethylsulfanylmethyl)-1,2-oxazole-3-carbohydrazide

5-(cyclopentylmethylsulfanylmethyl)-1,2-oxazole-3-carbohydrazide (PubChem CID 55213330) has the molecular formula C11H17N3O2S and a molecular weight of 255.34 g/mol. Its IUPAC name is 5-(cyclopentylmethylsulfanylmethyl)-1,2-oxazole-3-carbohydrazide.

Molecular Properties

Compound Name5-(cyclopentylmethylsulfanylmethyl)-1,2-oxazole-3-carbohydrazide
PubChem CID55213330
Molecular FormulaC11H17N3O2S
Molecular Weight255.34 g/mol
Exact Mass255.10
IUPAC Name5-(cyclopentylmethylsulfanylmethyl)-1,2-oxazole-3-carbohydrazide
SMILESNNC(=O)c1cc(CSCC2CCCC2)on1
InChIInChI=1S/C11H17N3O2S/c12-13-11(15)10-5-9(16-14-10)7-17-6-8-3-1-2-4-8/h5,8H,1-4,6-7,12H2,(H,13,15)
InChIKeyPIEHUMWQQNIMMQ-UHFFFAOYSA-N
XLogP1.70
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 51.70
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 5-(cyclopentylmethylsulfanylmethyl)-1,2-oxazole-3-carbohydrazide?
The IUPAC name of 5-(cyclopentylmethylsulfanylmethyl)-1,2-oxazole-3-carbohydrazide (CID 55213330) is 5-(cyclopentylmethylsulfanylmethyl)-1,2-oxazole-3-carbohydrazide.
What is the SMILES notation for 5-(cyclopentylmethylsulfanylmethyl)-1,2-oxazole-3-carbohydrazide?
The canonical SMILES for 5-(cyclopentylmethylsulfanylmethyl)-1,2-oxazole-3-carbohydrazide is NNC(=O)c1cc(CSCC2CCCC2)on1.
What is the InChIKey of 5-(cyclopentylmethylsulfanylmethyl)-1,2-oxazole-3-carbohydrazide?
The InChIKey is PIEHUMWQQNIMMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2S/c12-13-11(15)10-5-9(16-14-10)7-17-6-8-3-1-2-4-8/h5,8H,1-4,6-7,12H2,(H,13,15).
What are the key properties of 5-(cyclopentylmethylsulfanylmethyl)-1,2-oxazole-3-carbohydrazide?
5-(cyclopentylmethylsulfanylmethyl)-1,2-oxazole-3-carbohydrazide has a molecular weight of 255.34 g/mol, XLogP of 1.70, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclopentylmethylsulfanylmethyl)-1,2-oxazole-3-carbohydrazide is sourced from PubChem (CID 55213330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).