2,4,5-trifluoro-N-[(5-methyl-1,3-oxazol-2-yl)methyl]aniline

C11H9F3N2O — CID 86786151

IUPAC2,4,5-trifluoro-N-[(5-methyl-1,3-oxazol-2-yl)methyl]aniline
SMILESCc1cnc(CNc2cc(F)c(F)cc2F)o1
InChIInChI=1S/C11H9F3N2O/c1-6-4-16-11(17-6)5-15-10-3-8(13)7(12)2-9(10)14/h2-4,15H,5H2,1H3
InChIKeyHGZIKUQULSDRHX-UHFFFAOYSA-N
MW242.20 g/mol
LogP3.01
Rot. Bonds3

About 2,4,5-trifluoro-N-[(5-methyl-1,3-oxazol-2-yl)methyl]aniline

2,4,5-trifluoro-N-[(5-methyl-1,3-oxazol-2-yl)methyl]aniline (PubChem CID 86786151) has the molecular formula C11H9F3N2O and a molecular weight of 242.20 g/mol. Its IUPAC name is 2,4,5-trifluoro-N-[(5-methyl-1,3-oxazol-2-yl)methyl]aniline.

Molecular Properties

Compound Name2,4,5-trifluoro-N-[(5-methyl-1,3-oxazol-2-yl)methyl]aniline
PubChem CID86786151
Molecular FormulaC11H9F3N2O
Molecular Weight242.20 g/mol
Exact Mass242.07
IUPAC Name2,4,5-trifluoro-N-[(5-methyl-1,3-oxazol-2-yl)methyl]aniline
SMILESCc1cnc(CNc2cc(F)c(F)cc2F)o1
InChIInChI=1S/C11H9F3N2O/c1-6-4-16-11(17-6)5-15-10-3-8(13)7(12)2-9(10)14/h2-4,15H,5H2,1H3
InChIKeyHGZIKUQULSDRHX-UHFFFAOYSA-N
XLogP3.01
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.20
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,4,5-trifluoro-N-[(5-methyl-1,3-oxazol-2-yl)methyl]aniline?
The IUPAC name of 2,4,5-trifluoro-N-[(5-methyl-1,3-oxazol-2-yl)methyl]aniline (CID 86786151) is 2,4,5-trifluoro-N-[(5-methyl-1,3-oxazol-2-yl)methyl]aniline.
What is the SMILES notation for 2,4,5-trifluoro-N-[(5-methyl-1,3-oxazol-2-yl)methyl]aniline?
The canonical SMILES for 2,4,5-trifluoro-N-[(5-methyl-1,3-oxazol-2-yl)methyl]aniline is Cc1cnc(CNc2cc(F)c(F)cc2F)o1.
What is the InChIKey of 2,4,5-trifluoro-N-[(5-methyl-1,3-oxazol-2-yl)methyl]aniline?
The InChIKey is HGZIKUQULSDRHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F3N2O/c1-6-4-16-11(17-6)5-15-10-3-8(13)7(12)2-9(10)14/h2-4,15H,5H2,1H3.
What are the key properties of 2,4,5-trifluoro-N-[(5-methyl-1,3-oxazol-2-yl)methyl]aniline?
2,4,5-trifluoro-N-[(5-methyl-1,3-oxazol-2-yl)methyl]aniline has a molecular weight of 242.20 g/mol, XLogP of 3.01, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,5-trifluoro-N-[(5-methyl-1,3-oxazol-2-yl)methyl]aniline is sourced from PubChem (CID 86786151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).