4-pyridin-2-yl-5-(trifluoromethyl)-1,2-oxazol-3-amine

C9H6F3N3O — CID 80521649

IUPAC4-pyridin-2-yl-5-(trifluoromethyl)-1,2-oxazol-3-amine
SMILESNc1noc(C(F)(F)F)c1-c1ccccn1
InChIInChI=1S/C9H6F3N3O/c10-9(11,12)7-6(8(13)15-16-7)5-3-1-2-4-14-5/h1-4H,(H2,13,15)
InChIKeyVBDAXNXIVDZDOH-UHFFFAOYSA-N
MW229.16 g/mol
LogP2.34
Rot. Bonds1

About 4-pyridin-2-yl-5-(trifluoromethyl)-1,2-oxazol-3-amine

4-pyridin-2-yl-5-(trifluoromethyl)-1,2-oxazol-3-amine (PubChem CID 80521649) has the molecular formula C9H6F3N3O and a molecular weight of 229.16 g/mol. Its IUPAC name is 4-pyridin-2-yl-5-(trifluoromethyl)-1,2-oxazol-3-amine.

Molecular Properties

Compound Name4-pyridin-2-yl-5-(trifluoromethyl)-1,2-oxazol-3-amine
PubChem CID80521649
Molecular FormulaC9H6F3N3O
Molecular Weight229.16 g/mol
Exact Mass229.05
IUPAC Name4-pyridin-2-yl-5-(trifluoromethyl)-1,2-oxazol-3-amine
SMILESNc1noc(C(F)(F)F)c1-c1ccccn1
InChIInChI=1S/C9H6F3N3O/c10-9(11,12)7-6(8(13)15-16-7)5-3-1-2-4-14-5/h1-4H,(H2,13,15)
InChIKeyVBDAXNXIVDZDOH-UHFFFAOYSA-N
XLogP2.34
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.16
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-pyridin-2-yl-5-(trifluoromethyl)-1,2-oxazol-3-amine?
The IUPAC name of 4-pyridin-2-yl-5-(trifluoromethyl)-1,2-oxazol-3-amine (CID 80521649) is 4-pyridin-2-yl-5-(trifluoromethyl)-1,2-oxazol-3-amine.
What is the SMILES notation for 4-pyridin-2-yl-5-(trifluoromethyl)-1,2-oxazol-3-amine?
The canonical SMILES for 4-pyridin-2-yl-5-(trifluoromethyl)-1,2-oxazol-3-amine is Nc1noc(C(F)(F)F)c1-c1ccccn1.
What is the InChIKey of 4-pyridin-2-yl-5-(trifluoromethyl)-1,2-oxazol-3-amine?
The InChIKey is VBDAXNXIVDZDOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6F3N3O/c10-9(11,12)7-6(8(13)15-16-7)5-3-1-2-4-14-5/h1-4H,(H2,13,15).
What are the key properties of 4-pyridin-2-yl-5-(trifluoromethyl)-1,2-oxazol-3-amine?
4-pyridin-2-yl-5-(trifluoromethyl)-1,2-oxazol-3-amine has a molecular weight of 229.16 g/mol, XLogP of 2.34, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pyridin-2-yl-5-(trifluoromethyl)-1,2-oxazol-3-amine is sourced from PubChem (CID 80521649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).