4-(2,3,5-trifluorophenyl)-1,2-oxazol-5-amine

C9H5F3N2O — CID 115112267

IUPAC4-(2,3,5-trifluorophenyl)-1,2-oxazol-5-amine
SMILESNc1oncc1-c1cc(F)cc(F)c1F
InChIInChI=1S/C9H5F3N2O/c10-4-1-5(8(12)7(11)2-4)6-3-14-15-9(6)13/h1-3H,13H2
InChIKeyPIAZLCDXVSOUHZ-UHFFFAOYSA-N
MW214.15 g/mol
LogP2.34
Rot. Bonds1

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

4-(2,3,5-trifluorophenyl)-1,2-oxazol-5-amine (PubChem CID 115112267) has the molecular formula C9H5F3N2O and a molecular weight of 214.15 g/mol. Its IUPAC name is 4-(2,3,5-trifluorophenyl)-1,2-oxazol-5-amine.

Molecular Properties

Compound Name4-(2,3,5-trifluorophenyl)-1,2-oxazol-5-amine
PubChem CID115112267
Molecular FormulaC9H5F3N2O
Molecular Weight214.15 g/mol
Exact Mass214.04
IUPAC Name4-(2,3,5-trifluorophenyl)-1,2-oxazol-5-amine
SMILESNc1oncc1-c1cc(F)cc(F)c1F
InChIInChI=1S/C9H5F3N2O/c10-4-1-5(8(12)7(11)2-4)6-3-14-15-9(6)13/h1-3H,13H2
InChIKeyPIAZLCDXVSOUHZ-UHFFFAOYSA-N
XLogP2.34
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.15
LogP ≤ 52.34
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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Related Compounds

4-(3-chloro-2,5-difluorophenyl)-1,2-oxazol-5-amine
CID 117333106
4-(2,3-difluoro-5-methylphenyl)-1,2-oxazol-5-amine
CID 117299828
4-(5-ethyl-2,3-difluorophenyl)-1,2-oxazol-5-amine
CID 117321322
4-(2-bromo-5-fluorophenyl)-1,2-oxazol-5-amine
CID 117395502
4-(2-bromo-4,5-difluorophenyl)-1,2-oxazol-5-amine
CID 117439375
4-(3,4-difluoro-5-methylphenyl)-1,2-oxazol-5-amine
CID 117299829
5-(2,3,5-trifluorophenyl)-1H-pyrazol-3-amine
CID 115111632
4-(2,5-dichloro-3-fluorophenyl)-1,2-oxazol-5-amine
CID 117369363
4-(2-bromo-3,4-difluorophenyl)-1,2-oxazol-5-amine
CID 117439381
4-(5-bromo-2,4-difluoro-3-methoxyphenyl)-1,2-oxazol-5-amine
CID 117490148
4-(3-fluoro-5,6,7,8-tetrahydronaphthalen-2-yl)-1,2-oxazol-5-amine
CID 117336149
3-(5-amino-1,2-oxazol-4-yl)-2-fluoro-5-methoxyphenol
CID 117321279

Frequently Asked Questions

What is the IUPAC name of 4-(2,3,5-trifluorophenyl)-1,2-oxazol-5-amine?
The IUPAC name of 4-(2,3,5-trifluorophenyl)-1,2-oxazol-5-amine (CID 115112267) is 4-(2,3,5-trifluorophenyl)-1,2-oxazol-5-amine.
What is the SMILES notation for 4-(2,3,5-trifluorophenyl)-1,2-oxazol-5-amine?
The canonical SMILES for 4-(2,3,5-trifluorophenyl)-1,2-oxazol-5-amine is Nc1oncc1-c1cc(F)cc(F)c1F.
What is the InChIKey of 4-(2,3,5-trifluorophenyl)-1,2-oxazol-5-amine?
The InChIKey is PIAZLCDXVSOUHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5F3N2O/c10-4-1-5(8(12)7(11)2-4)6-3-14-15-9(6)13/h1-3H,13H2.
What are the key properties of 4-(2,3,5-trifluorophenyl)-1,2-oxazol-5-amine?
4-(2,3,5-trifluorophenyl)-1,2-oxazol-5-amine has a molecular weight of 214.15 g/mol, XLogP of 2.34, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3,5-trifluorophenyl)-1,2-oxazol-5-amine is sourced from PubChem (CID 115112267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).