3-(1H-pyrazol-5-yl)-4-[3-(trifluoromethyl)phenyl]-1,2-oxazol-5-amine

C13H9F3N4O — CID 63079066

IUPAC3-(1H-pyrazol-5-yl)-4-[3-(trifluoromethyl)phenyl]-1,2-oxazol-5-amine
SMILESNc1onc(-c2ccn[nH]2)c1-c1cccc(C(F)(F)F)c1
InChIInChI=1S/C13H9F3N4O/c14-13(15,16)8-3-1-2-7(6-8)10-11(20-21-12(10)17)9-4-5-18-19-9/h1-6H,17H2,(H,18,19)
InChIKeyQVXPJOMTPICWDT-UHFFFAOYSA-N
MW294.24 g/mol
LogP3.33
Rot. Bonds2

About 3-(1H-pyrazol-5-yl)-4-[3-(trifluoromethyl)phenyl]-1,2-oxazol-5-amine

3-(1H-pyrazol-5-yl)-4-[3-(trifluoromethyl)phenyl]-1,2-oxazol-5-amine (PubChem CID 63079066) has the molecular formula C13H9F3N4O and a molecular weight of 294.24 g/mol. Its IUPAC name is 3-(1H-pyrazol-5-yl)-4-[3-(trifluoromethyl)phenyl]-1,2-oxazol-5-amine.

Molecular Properties

Compound Name3-(1H-pyrazol-5-yl)-4-[3-(trifluoromethyl)phenyl]-1,2-oxazol-5-amine
PubChem CID63079066
Molecular FormulaC13H9F3N4O
Molecular Weight294.24 g/mol
Exact Mass294.07
IUPAC Name3-(1H-pyrazol-5-yl)-4-[3-(trifluoromethyl)phenyl]-1,2-oxazol-5-amine
SMILESNc1onc(-c2ccn[nH]2)c1-c1cccc(C(F)(F)F)c1
InChIInChI=1S/C13H9F3N4O/c14-13(15,16)8-3-1-2-7(6-8)10-11(20-21-12(10)17)9-4-5-18-19-9/h1-6H,17H2,(H,18,19)
InChIKeyQVXPJOMTPICWDT-UHFFFAOYSA-N
XLogP3.33
TPSA80.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.24
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-ethyl-4-[3-(trifluoromethyl)phenyl]-1,2-oxazol-5-amine
CID 43158288
4-(4-methylphenyl)-3-(1H-pyrazol-5-yl)-1,2-oxazol-5-amine
CID 63078369
4-(4-propan-2-ylphenyl)-3-(1H-pyrazol-5-yl)-1,2-oxazol-5-amine
CID 63079960
4-(2-methylphenyl)-3-(1H-pyrazol-5-yl)-1,2-oxazol-5-amine
CID 63080317
3-(4-fluorophenyl)-4-(3-methylphenyl)-1,2-oxazol-5-amine
CID 62829957
4-bromo-5-[3-(trifluoromethyl)phenyl]-1,2-oxazol-3-amine
CID 79557110
4-(3-methylphenyl)-3-phenyl-1,2-oxazol-5-amine
CID 62829774
3-(2-chloro-6-fluorophenyl)-4-(3-methylphenyl)-1,2-oxazol-5-amine
CID 62830824
4-(3-chlorophenyl)-3-(4-fluorophenyl)-1,2-oxazol-5-amine
CID 43157981
6-[3-(trifluoromethyl)phenyl]-1,2,4,5-tetrazin-3-amine
CID 12535593
3-(2,6-difluorophenyl)-4-(4-fluorophenyl)-1,2-oxazol-5-amine
CID 43335899
1,3,5-trifluoro-2-[3-(trifluoromethyl)phenyl]benzene
CID 119010297

Frequently Asked Questions

What is the IUPAC name of 3-(1H-pyrazol-5-yl)-4-[3-(trifluoromethyl)phenyl]-1,2-oxazol-5-amine?
The IUPAC name of 3-(1H-pyrazol-5-yl)-4-[3-(trifluoromethyl)phenyl]-1,2-oxazol-5-amine (CID 63079066) is 3-(1H-pyrazol-5-yl)-4-[3-(trifluoromethyl)phenyl]-1,2-oxazol-5-amine.
What is the SMILES notation for 3-(1H-pyrazol-5-yl)-4-[3-(trifluoromethyl)phenyl]-1,2-oxazol-5-amine?
The canonical SMILES for 3-(1H-pyrazol-5-yl)-4-[3-(trifluoromethyl)phenyl]-1,2-oxazol-5-amine is Nc1onc(-c2ccn[nH]2)c1-c1cccc(C(F)(F)F)c1.
What is the InChIKey of 3-(1H-pyrazol-5-yl)-4-[3-(trifluoromethyl)phenyl]-1,2-oxazol-5-amine?
The InChIKey is QVXPJOMTPICWDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9F3N4O/c14-13(15,16)8-3-1-2-7(6-8)10-11(20-21-12(10)17)9-4-5-18-19-9/h1-6H,17H2,(H,18,19).
What are the key properties of 3-(1H-pyrazol-5-yl)-4-[3-(trifluoromethyl)phenyl]-1,2-oxazol-5-amine?
3-(1H-pyrazol-5-yl)-4-[3-(trifluoromethyl)phenyl]-1,2-oxazol-5-amine has a molecular weight of 294.24 g/mol, XLogP of 3.33, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-pyrazol-5-yl)-4-[3-(trifluoromethyl)phenyl]-1,2-oxazol-5-amine is sourced from PubChem (CID 63079066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).