5-methyl-N-[(2,4,5-trifluorophenyl)methyl]-1,2-oxazol-3-amine

C11H9F3N2O — CID 75355478

IUPAC5-methyl-N-[(2,4,5-trifluorophenyl)methyl]-1,2-oxazol-3-amine
SMILESCc1cc(NCc2cc(F)c(F)cc2F)no1
InChIInChI=1S/C11H9F3N2O/c1-6-2-11(16-17-6)15-5-7-3-9(13)10(14)4-8(7)12/h2-4H,5H2,1H3,(H,15,16)
InChIKeyQJNPELWEYVSQBE-UHFFFAOYSA-N
MW242.20 g/mol
LogP3.01
Rot. Bonds3

About 5-methyl-N-[(2,4,5-trifluorophenyl)methyl]-1,2-oxazol-3-amine

5-methyl-N-[(2,4,5-trifluorophenyl)methyl]-1,2-oxazol-3-amine (PubChem CID 75355478) has the molecular formula C11H9F3N2O and a molecular weight of 242.20 g/mol. Its IUPAC name is 5-methyl-N-[(2,4,5-trifluorophenyl)methyl]-1,2-oxazol-3-amine.

Molecular Properties

Compound Name5-methyl-N-[(2,4,5-trifluorophenyl)methyl]-1,2-oxazol-3-amine
PubChem CID75355478
Molecular FormulaC11H9F3N2O
Molecular Weight242.20 g/mol
Exact Mass242.07
IUPAC Name5-methyl-N-[(2,4,5-trifluorophenyl)methyl]-1,2-oxazol-3-amine
SMILESCc1cc(NCc2cc(F)c(F)cc2F)no1
InChIInChI=1S/C11H9F3N2O/c1-6-2-11(16-17-6)15-5-7-3-9(13)10(14)4-8(7)12/h2-4H,5H2,1H3,(H,15,16)
InChIKeyQJNPELWEYVSQBE-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 5-methyl-N-[(2,4,5-trifluorophenyl)methyl]-1,2-oxazol-3-amine?
The IUPAC name of 5-methyl-N-[(2,4,5-trifluorophenyl)methyl]-1,2-oxazol-3-amine (CID 75355478) is 5-methyl-N-[(2,4,5-trifluorophenyl)methyl]-1,2-oxazol-3-amine.
What is the SMILES notation for 5-methyl-N-[(2,4,5-trifluorophenyl)methyl]-1,2-oxazol-3-amine?
The canonical SMILES for 5-methyl-N-[(2,4,5-trifluorophenyl)methyl]-1,2-oxazol-3-amine is Cc1cc(NCc2cc(F)c(F)cc2F)no1.
What is the InChIKey of 5-methyl-N-[(2,4,5-trifluorophenyl)methyl]-1,2-oxazol-3-amine?
The InChIKey is QJNPELWEYVSQBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F3N2O/c1-6-2-11(16-17-6)15-5-7-3-9(13)10(14)4-8(7)12/h2-4H,5H2,1H3,(H,15,16).
What are the key properties of 5-methyl-N-[(2,4,5-trifluorophenyl)methyl]-1,2-oxazol-3-amine?
5-methyl-N-[(2,4,5-trifluorophenyl)methyl]-1,2-oxazol-3-amine 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 5-methyl-N-[(2,4,5-trifluorophenyl)methyl]-1,2-oxazol-3-amine is sourced from PubChem (CID 75355478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).