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

C10H17N3O2S — CID 106926298

IUPAC5-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]pentanehydrazide
SMILESCc1nc(SCCCCC(=O)NN)oc1C
InChIInChI=1S/C10H17N3O2S/c1-7-8(2)15-10(12-7)16-6-4-3-5-9(14)13-11/h3-6,11H2,1-2H3,(H,13,14)
InChIKeyFEQHVHNKGVWFKV-UHFFFAOYSA-N
MW243.33 g/mol
LogP1.54
Rot. Bonds6

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

5-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]pentanehydrazide (PubChem CID 106926298) has the molecular formula C10H17N3O2S and a molecular weight of 243.33 g/mol. Its IUPAC name is 5-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]pentanehydrazide.

Molecular Properties

Compound Name5-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]pentanehydrazide
PubChem CID106926298
Molecular FormulaC10H17N3O2S
Molecular Weight243.33 g/mol
Exact Mass243.10
IUPAC Name5-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]pentanehydrazide
SMILESCc1nc(SCCCCC(=O)NN)oc1C
InChIInChI=1S/C10H17N3O2S/c1-7-8(2)15-10(12-7)16-6-4-3-5-9(14)13-11/h3-6,11H2,1-2H3,(H,13,14)
InChIKeyFEQHVHNKGVWFKV-UHFFFAOYSA-N
XLogP1.54
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.33
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]propanehydrazide
CID 106926292
3-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]propanamide
CID 103761124
4-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]butan-1-ol
CID 106923624
ethyl 3-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]propanoate
CID 106920911
4-[2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]ethoxy]benzohydrazide
CID 106926311
5-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-2-(ethylamino)-2-methylpentanoic acid
CID 106925390
methyl 5-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-2-methyl-2-(propylamino)pentanoate
CID 106925308
N-(2-amino-4-chlorophenyl)-3-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]propanamide
CID 106922323
N-(4-amino-2-chlorophenyl)-3-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]propanamide
CID 106922198
N-(2-amino-5-chlorophenyl)-3-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]propanamide
CID 106922299
N-(5-amino-2-fluorophenyl)-3-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]propanamide
CID 106922276
2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]butanehydrazide
CID 106926315

Frequently Asked Questions

What is the IUPAC name of 5-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]pentanehydrazide?
The IUPAC name of 5-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]pentanehydrazide (CID 106926298) is 5-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]pentanehydrazide.
What is the SMILES notation for 5-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]pentanehydrazide?
The canonical SMILES for 5-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]pentanehydrazide is Cc1nc(SCCCCC(=O)NN)oc1C.
What is the InChIKey of 5-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]pentanehydrazide?
The InChIKey is FEQHVHNKGVWFKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2S/c1-7-8(2)15-10(12-7)16-6-4-3-5-9(14)13-11/h3-6,11H2,1-2H3,(H,13,14).
What are the key properties of 5-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]pentanehydrazide?
5-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]pentanehydrazide has a molecular weight of 243.33 g/mol, XLogP of 1.54, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]pentanehydrazide is sourced from PubChem (CID 106926298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).