5-(2,3,4-trifluorophenyl)-1,2-oxazol-3-amine

C9H5F3N2O — CID 79754981

IUPAC5-(2,3,4-trifluorophenyl)-1,2-oxazol-3-amine
SMILESNc1cc(-c2ccc(F)c(F)c2F)on1
InChIInChI=1S/C9H5F3N2O/c10-5-2-1-4(8(11)9(5)12)6-3-7(13)14-15-6/h1-3H,(H2,13,14)
InChIKeySOWMHLGZQCEIAW-UHFFFAOYSA-N
MW214.15 g/mol
LogP2.34
Rot. Bonds1

About 5-(2,3,4-trifluorophenyl)-1,2-oxazol-3-amine

5-(2,3,4-trifluorophenyl)-1,2-oxazol-3-amine (PubChem CID 79754981) has the molecular formula C9H5F3N2O and a molecular weight of 214.15 g/mol. Its IUPAC name is 5-(2,3,4-trifluorophenyl)-1,2-oxazol-3-amine.

Molecular Properties

Compound Name5-(2,3,4-trifluorophenyl)-1,2-oxazol-3-amine
PubChem CID79754981
Molecular FormulaC9H5F3N2O
Molecular Weight214.15 g/mol
Exact Mass214.04
IUPAC Name5-(2,3,4-trifluorophenyl)-1,2-oxazol-3-amine
SMILESNc1cc(-c2ccc(F)c(F)c2F)on1
InChIInChI=1S/C9H5F3N2O/c10-5-2-1-4(8(11)9(5)12)6-3-7(13)14-15-6/h1-3H,(H2,13,14)
InChIKeySOWMHLGZQCEIAW-UHFFFAOYSA-N
XLogP2.34
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.15
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(2,3,4-trifluorophenyl)-1,2-oxazol-3-amine?
The IUPAC name of 5-(2,3,4-trifluorophenyl)-1,2-oxazol-3-amine (CID 79754981) is 5-(2,3,4-trifluorophenyl)-1,2-oxazol-3-amine.
What is the SMILES notation for 5-(2,3,4-trifluorophenyl)-1,2-oxazol-3-amine?
The canonical SMILES for 5-(2,3,4-trifluorophenyl)-1,2-oxazol-3-amine is Nc1cc(-c2ccc(F)c(F)c2F)on1.
What is the InChIKey of 5-(2,3,4-trifluorophenyl)-1,2-oxazol-3-amine?
The InChIKey is SOWMHLGZQCEIAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5F3N2O/c10-5-2-1-4(8(11)9(5)12)6-3-7(13)14-15-6/h1-3H,(H2,13,14).
What are the key properties of 5-(2,3,4-trifluorophenyl)-1,2-oxazol-3-amine?
5-(2,3,4-trifluorophenyl)-1,2-oxazol-3-amine has a molecular weight of 214.15 g/mol, XLogP of 2.34, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3,4-trifluorophenyl)-1,2-oxazol-3-amine is sourced from PubChem (CID 79754981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).