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

C7H8FNO3S — CID 106920939

IUPAC2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-2-fluoroacetic acid
SMILESCc1nc(SC(F)C(=O)O)oc1C
InChIInChI=1S/C7H8FNO3S/c1-3-4(2)12-7(9-3)13-5(8)6(10)11/h5H,1-2H3,(H,10,11)
InChIKeyAINPCHSCOGZKKZ-UHFFFAOYSA-N
MW205.21 g/mol
LogP1.76
Rot. Bonds3

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

2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-2-fluoroacetic acid (PubChem CID 106920939) has the molecular formula C7H8FNO3S and a molecular weight of 205.21 g/mol. Its IUPAC name is 2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-2-fluoroacetic acid.

Molecular Properties

Compound Name2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-2-fluoroacetic acid
PubChem CID106920939
Molecular FormulaC7H8FNO3S
Molecular Weight205.21 g/mol
Exact Mass205.02
IUPAC Name2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-2-fluoroacetic acid
SMILESCc1nc(SC(F)C(=O)O)oc1C
InChIInChI=1S/C7H8FNO3S/c1-3-4(2)12-7(9-3)13-5(8)6(10)11/h5H,1-2H3,(H,10,11)
InChIKeyAINPCHSCOGZKKZ-UHFFFAOYSA-N
XLogP1.76
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.21
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-2-fluoroacetic acid?
The IUPAC name of 2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-2-fluoroacetic acid (CID 106920939) is 2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-2-fluoroacetic acid.
What is the SMILES notation for 2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-2-fluoroacetic acid?
The canonical SMILES for 2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-2-fluoroacetic acid is Cc1nc(SC(F)C(=O)O)oc1C.
What is the InChIKey of 2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-2-fluoroacetic acid?
The InChIKey is AINPCHSCOGZKKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8FNO3S/c1-3-4(2)12-7(9-3)13-5(8)6(10)11/h5H,1-2H3,(H,10,11).
What are the key properties of 2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-2-fluoroacetic acid?
2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-2-fluoroacetic acid has a molecular weight of 205.21 g/mol, XLogP of 1.76, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-2-fluoroacetic acid is sourced from PubChem (CID 106920939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).