4-(1,3-oxazol-2-ylsulfanyl)butan-1-ol

C7H11NO2S — CID 106923563

IUPAC4-(1,3-oxazol-2-ylsulfanyl)butan-1-ol
SMILESOCCCCSc1ncco1
InChIInChI=1S/C7H11NO2S/c9-4-1-2-6-11-7-8-3-5-10-7/h3,5,9H,1-2,4,6H2
InChIKeyXDCHQLJTJAAKPG-UHFFFAOYSA-N
MW173.24 g/mol
LogP1.54
Rot. Bonds5

About 4-(1,3-oxazol-2-ylsulfanyl)butan-1-ol

4-(1,3-oxazol-2-ylsulfanyl)butan-1-ol (PubChem CID 106923563) has the molecular formula C7H11NO2S and a molecular weight of 173.24 g/mol. Its IUPAC name is 4-(1,3-oxazol-2-ylsulfanyl)butan-1-ol.

Molecular Properties

Compound Name4-(1,3-oxazol-2-ylsulfanyl)butan-1-ol
PubChem CID106923563
Molecular FormulaC7H11NO2S
Molecular Weight173.24 g/mol
Exact Mass173.05
IUPAC Name4-(1,3-oxazol-2-ylsulfanyl)butan-1-ol
SMILESOCCCCSc1ncco1
InChIInChI=1S/C7H11NO2S/c9-4-1-2-6-11-7-8-3-5-10-7/h3,5,9H,1-2,4,6H2
InChIKeyXDCHQLJTJAAKPG-UHFFFAOYSA-N
XLogP1.54
TPSA46.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.24
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(1,3-oxazol-2-ylsulfanyl)butan-1-ol?
The IUPAC name of 4-(1,3-oxazol-2-ylsulfanyl)butan-1-ol (CID 106923563) is 4-(1,3-oxazol-2-ylsulfanyl)butan-1-ol.
What is the SMILES notation for 4-(1,3-oxazol-2-ylsulfanyl)butan-1-ol?
The canonical SMILES for 4-(1,3-oxazol-2-ylsulfanyl)butan-1-ol is OCCCCSc1ncco1.
What is the InChIKey of 4-(1,3-oxazol-2-ylsulfanyl)butan-1-ol?
The InChIKey is XDCHQLJTJAAKPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO2S/c9-4-1-2-6-11-7-8-3-5-10-7/h3,5,9H,1-2,4,6H2.
What are the key properties of 4-(1,3-oxazol-2-ylsulfanyl)butan-1-ol?
4-(1,3-oxazol-2-ylsulfanyl)butan-1-ol has a molecular weight of 173.24 g/mol, XLogP of 1.54, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-oxazol-2-ylsulfanyl)butan-1-ol is sourced from PubChem (CID 106923563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).