4-(2,4,5-trifluoro-3-methoxyphenyl)-1,2-oxazol-5-amine

C10H7F3N2O2 — CID 115112274

IUPAC4-(2,4,5-trifluoro-3-methoxyphenyl)-1,2-oxazol-5-amine
SMILESCOc1c(F)c(F)cc(-c2cnoc2N)c1F
InChIInChI=1S/C10H7F3N2O2/c1-16-9-7(12)4(2-6(11)8(9)13)5-3-15-17-10(5)14/h2-3H,14H2,1H3
InChIKeyDKHAPUABMFDNJS-UHFFFAOYSA-N
MW244.17 g/mol
LogP2.35
Rot. Bonds2

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

4-(2,4,5-trifluoro-3-methoxyphenyl)-1,2-oxazol-5-amine (PubChem CID 115112274) has the molecular formula C10H7F3N2O2 and a molecular weight of 244.17 g/mol. Its IUPAC name is 4-(2,4,5-trifluoro-3-methoxyphenyl)-1,2-oxazol-5-amine.

Molecular Properties

Compound Name4-(2,4,5-trifluoro-3-methoxyphenyl)-1,2-oxazol-5-amine
PubChem CID115112274
Molecular FormulaC10H7F3N2O2
Molecular Weight244.17 g/mol
Exact Mass244.05
IUPAC Name4-(2,4,5-trifluoro-3-methoxyphenyl)-1,2-oxazol-5-amine
SMILESCOc1c(F)c(F)cc(-c2cnoc2N)c1F
InChIInChI=1S/C10H7F3N2O2/c1-16-9-7(12)4(2-6(11)8(9)13)5-3-15-17-10(5)14/h2-3H,14H2,1H3
InChIKeyDKHAPUABMFDNJS-UHFFFAOYSA-N
XLogP2.35
TPSA61.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.17
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-(2,4,5-trifluoro-3-methoxyphenyl)-1,2-oxazol-5-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(2,4,5-trifluoro-3-methoxyphenyl)-1,2-oxazol-5-amine?
The IUPAC name of 4-(2,4,5-trifluoro-3-methoxyphenyl)-1,2-oxazol-5-amine (CID 115112274) is 4-(2,4,5-trifluoro-3-methoxyphenyl)-1,2-oxazol-5-amine.
What is the SMILES notation for 4-(2,4,5-trifluoro-3-methoxyphenyl)-1,2-oxazol-5-amine?
The canonical SMILES for 4-(2,4,5-trifluoro-3-methoxyphenyl)-1,2-oxazol-5-amine is COc1c(F)c(F)cc(-c2cnoc2N)c1F.
What is the InChIKey of 4-(2,4,5-trifluoro-3-methoxyphenyl)-1,2-oxazol-5-amine?
The InChIKey is DKHAPUABMFDNJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F3N2O2/c1-16-9-7(12)4(2-6(11)8(9)13)5-3-15-17-10(5)14/h2-3H,14H2,1H3.
What are the key properties of 4-(2,4,5-trifluoro-3-methoxyphenyl)-1,2-oxazol-5-amine?
4-(2,4,5-trifluoro-3-methoxyphenyl)-1,2-oxazol-5-amine has a molecular weight of 244.17 g/mol, XLogP of 2.35, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4,5-trifluoro-3-methoxyphenyl)-1,2-oxazol-5-amine is sourced from PubChem (CID 115112274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).