4-(1,3-oxazol-2-ylsulfanyl)pentanoic acid

C8H11NO3S — CID 106920689

IUPAC4-(1,3-oxazol-2-ylsulfanyl)pentanoic acid
SMILESCC(CCC(=O)O)Sc1ncco1
InChIInChI=1S/C8H11NO3S/c1-6(2-3-7(10)11)13-8-9-4-5-12-8/h4-6H,2-3H2,1H3,(H,10,11)
InChIKeyJRHOVCCJEMIINJ-UHFFFAOYSA-N
MW201.25 g/mol
LogP2.02
Rot. Bonds5

About 4-(1,3-oxazol-2-ylsulfanyl)pentanoic acid

4-(1,3-oxazol-2-ylsulfanyl)pentanoic acid (PubChem CID 106920689) has the molecular formula C8H11NO3S and a molecular weight of 201.25 g/mol. Its IUPAC name is 4-(1,3-oxazol-2-ylsulfanyl)pentanoic acid.

Molecular Properties

Compound Name4-(1,3-oxazol-2-ylsulfanyl)pentanoic acid
PubChem CID106920689
Molecular FormulaC8H11NO3S
Molecular Weight201.25 g/mol
Exact Mass201.05
IUPAC Name4-(1,3-oxazol-2-ylsulfanyl)pentanoic acid
SMILESCC(CCC(=O)O)Sc1ncco1
InChIInChI=1S/C8H11NO3S/c1-6(2-3-7(10)11)13-8-9-4-5-12-8/h4-6H,2-3H2,1H3,(H,10,11)
InChIKeyJRHOVCCJEMIINJ-UHFFFAOYSA-N
XLogP2.02
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.25
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(1,3-oxazol-2-ylsulfanyl)pentanoic acid?
The IUPAC name of 4-(1,3-oxazol-2-ylsulfanyl)pentanoic acid (CID 106920689) is 4-(1,3-oxazol-2-ylsulfanyl)pentanoic acid.
What is the SMILES notation for 4-(1,3-oxazol-2-ylsulfanyl)pentanoic acid?
The canonical SMILES for 4-(1,3-oxazol-2-ylsulfanyl)pentanoic acid is CC(CCC(=O)O)Sc1ncco1.
What is the InChIKey of 4-(1,3-oxazol-2-ylsulfanyl)pentanoic acid?
The InChIKey is JRHOVCCJEMIINJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO3S/c1-6(2-3-7(10)11)13-8-9-4-5-12-8/h4-6H,2-3H2,1H3,(H,10,11).
What are the key properties of 4-(1,3-oxazol-2-ylsulfanyl)pentanoic acid?
4-(1,3-oxazol-2-ylsulfanyl)pentanoic acid has a molecular weight of 201.25 g/mol, XLogP of 2.02, 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)pentanoic acid is sourced from PubChem (CID 106920689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).