trifluoro-(4-methyl-1,3-oxazol-5-yl)boranuide

C4H4BF3NO- — CID 170914896

IUPACtrifluoro-(4-methyl-1,3-oxazol-5-yl)boranuide
SMILESCc1ncoc1[B-](F)(F)F
InChIInChI=1S/C4H4BF3NO/c1-3-4(5(6,7)8)10-2-9-3/h2H,1H3/q-1
InChIKeyPTXOQWVBIYMESA-UHFFFAOYSA-N
MW149.89 g/mol
LogP1.04
Rot. Bonds1

About trifluoro-(4-methyl-1,3-oxazol-5-yl)boranuide

trifluoro-(4-methyl-1,3-oxazol-5-yl)boranuide (PubChem CID 170914896) has the molecular formula C4H4BF3NO- and a molecular weight of 149.89 g/mol. Its IUPAC name is trifluoro-(4-methyl-1,3-oxazol-5-yl)boranuide.

Molecular Properties

Compound Nametrifluoro-(4-methyl-1,3-oxazol-5-yl)boranuide
PubChem CID170914896
Molecular FormulaC4H4BF3NO-
Molecular Weight149.89 g/mol
Exact Mass150.03
IUPAC Nametrifluoro-(4-methyl-1,3-oxazol-5-yl)boranuide
SMILESCc1ncoc1[B-](F)(F)F
InChIInChI=1S/C4H4BF3NO/c1-3-4(5(6,7)8)10-2-9-3/h2H,1H3/q-1
InChIKeyPTXOQWVBIYMESA-UHFFFAOYSA-N
XLogP1.04
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.89
LogP ≤ 51.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of trifluoro-(4-methyl-1,3-oxazol-5-yl)boranuide?
The IUPAC name of trifluoro-(4-methyl-1,3-oxazol-5-yl)boranuide (CID 170914896) is trifluoro-(4-methyl-1,3-oxazol-5-yl)boranuide.
What is the SMILES notation for trifluoro-(4-methyl-1,3-oxazol-5-yl)boranuide?
The canonical SMILES for trifluoro-(4-methyl-1,3-oxazol-5-yl)boranuide is Cc1ncoc1[B-](F)(F)F.
What is the InChIKey of trifluoro-(4-methyl-1,3-oxazol-5-yl)boranuide?
The InChIKey is PTXOQWVBIYMESA-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4BF3NO/c1-3-4(5(6,7)8)10-2-9-3/h2H,1H3/q-1.
What are the key properties of trifluoro-(4-methyl-1,3-oxazol-5-yl)boranuide?
trifluoro-(4-methyl-1,3-oxazol-5-yl)boranuide has a molecular weight of 149.89 g/mol, XLogP of 1.04, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trifluoro-(4-methyl-1,3-oxazol-5-yl)boranuide is sourced from PubChem (CID 170914896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).