2-butylsulfanyl-5-iodo-1,3-oxazole

C7H10INOS — CID 102518097

IUPAC2-butylsulfanyl-5-iodo-1,3-oxazole
SMILESCCCCSc1ncc(I)o1
InChIInChI=1S/C7H10INOS/c1-2-3-4-11-7-9-5-6(8)10-7/h5H,2-4H2,1H3
InChIKeyLTEXZEUWOBSDMT-UHFFFAOYSA-N
MW283.13 g/mol
LogP3.17
Rot. Bonds4

About 2-butylsulfanyl-5-iodo-1,3-oxazole

2-butylsulfanyl-5-iodo-1,3-oxazole (PubChem CID 102518097) has the molecular formula C7H10INOS and a molecular weight of 283.13 g/mol. Its IUPAC name is 2-butylsulfanyl-5-iodo-1,3-oxazole.

Molecular Properties

Compound Name2-butylsulfanyl-5-iodo-1,3-oxazole
PubChem CID102518097
Molecular FormulaC7H10INOS
Molecular Weight283.13 g/mol
Exact Mass282.95
IUPAC Name2-butylsulfanyl-5-iodo-1,3-oxazole
SMILESCCCCSc1ncc(I)o1
InChIInChI=1S/C7H10INOS/c1-2-3-4-11-7-9-5-6(8)10-7/h5H,2-4H2,1H3
InChIKeyLTEXZEUWOBSDMT-UHFFFAOYSA-N
XLogP3.17
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.13
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-butylsulfanyl-5-iodo-1,3-oxazole?
The IUPAC name of 2-butylsulfanyl-5-iodo-1,3-oxazole (CID 102518097) is 2-butylsulfanyl-5-iodo-1,3-oxazole.
What is the SMILES notation for 2-butylsulfanyl-5-iodo-1,3-oxazole?
The canonical SMILES for 2-butylsulfanyl-5-iodo-1,3-oxazole is CCCCSc1ncc(I)o1.
What is the InChIKey of 2-butylsulfanyl-5-iodo-1,3-oxazole?
The InChIKey is LTEXZEUWOBSDMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10INOS/c1-2-3-4-11-7-9-5-6(8)10-7/h5H,2-4H2,1H3.
What are the key properties of 2-butylsulfanyl-5-iodo-1,3-oxazole?
2-butylsulfanyl-5-iodo-1,3-oxazole has a molecular weight of 283.13 g/mol, XLogP of 3.17, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butylsulfanyl-5-iodo-1,3-oxazole is sourced from PubChem (CID 102518097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).