2-(3-fluoropropylamino)-1,3-oxazole-4-carboxylic acid

C7H9FN2O3 — CID 166178227

IUPAC2-(3-fluoropropylamino)-1,3-oxazole-4-carboxylic acid
SMILESO=C(O)c1coc(NCCCF)n1
InChIInChI=1S/C7H9FN2O3/c8-2-1-3-9-7-10-5(4-13-7)6(11)12/h4H,1-3H2,(H,9,10)(H,11,12)
InChIKeyIEMXPRNOVREXCV-UHFFFAOYSA-N
MW188.16 g/mol
LogP1.14
Rot. Bonds5

About 2-(3-fluoropropylamino)-1,3-oxazole-4-carboxylic acid

2-(3-fluoropropylamino)-1,3-oxazole-4-carboxylic acid (PubChem CID 166178227) has the molecular formula C7H9FN2O3 and a molecular weight of 188.16 g/mol. Its IUPAC name is 2-(3-fluoropropylamino)-1,3-oxazole-4-carboxylic acid.

Molecular Properties

Compound Name2-(3-fluoropropylamino)-1,3-oxazole-4-carboxylic acid
PubChem CID166178227
Molecular FormulaC7H9FN2O3
Molecular Weight188.16 g/mol
Exact Mass188.06
IUPAC Name2-(3-fluoropropylamino)-1,3-oxazole-4-carboxylic acid
SMILESO=C(O)c1coc(NCCCF)n1
InChIInChI=1S/C7H9FN2O3/c8-2-1-3-9-7-10-5(4-13-7)6(11)12/h4H,1-3H2,(H,9,10)(H,11,12)
InChIKeyIEMXPRNOVREXCV-UHFFFAOYSA-N
XLogP1.14
TPSA75.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.16
LogP ≤ 51.14
H-Bond Donors ≤ 52
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 2-(3-fluoropropylamino)-1,3-oxazole-4-carboxylic acid?
The IUPAC name of 2-(3-fluoropropylamino)-1,3-oxazole-4-carboxylic acid (CID 166178227) is 2-(3-fluoropropylamino)-1,3-oxazole-4-carboxylic acid.
What is the SMILES notation for 2-(3-fluoropropylamino)-1,3-oxazole-4-carboxylic acid?
The canonical SMILES for 2-(3-fluoropropylamino)-1,3-oxazole-4-carboxylic acid is O=C(O)c1coc(NCCCF)n1.
What is the InChIKey of 2-(3-fluoropropylamino)-1,3-oxazole-4-carboxylic acid?
The InChIKey is IEMXPRNOVREXCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9FN2O3/c8-2-1-3-9-7-10-5(4-13-7)6(11)12/h4H,1-3H2,(H,9,10)(H,11,12).
What are the key properties of 2-(3-fluoropropylamino)-1,3-oxazole-4-carboxylic acid?
2-(3-fluoropropylamino)-1,3-oxazole-4-carboxylic acid has a molecular weight of 188.16 g/mol, XLogP of 1.14, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoropropylamino)-1,3-oxazole-4-carboxylic acid is sourced from PubChem (CID 166178227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).