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

C10H7F3N2O — CID 105485175

IUPAC5-[3-(trifluoromethyl)phenyl]-1,2-oxazol-4-amine
SMILESNc1cnoc1-c1cccc(C(F)(F)F)c1
InChIInChI=1S/C10H7F3N2O/c11-10(12,13)7-3-1-2-6(4-7)9-8(14)5-15-16-9/h1-5H,14H2
InChIKeyTXDFTJZWCYNNCS-UHFFFAOYSA-N
MW228.17 g/mol
LogP2.94
Rot. Bonds1

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

5-[3-(trifluoromethyl)phenyl]-1,2-oxazol-4-amine (PubChem CID 105485175) has the molecular formula C10H7F3N2O and a molecular weight of 228.17 g/mol. Its IUPAC name is 5-[3-(trifluoromethyl)phenyl]-1,2-oxazol-4-amine.

Molecular Properties

Compound Name5-[3-(trifluoromethyl)phenyl]-1,2-oxazol-4-amine
PubChem CID105485175
Molecular FormulaC10H7F3N2O
Molecular Weight228.17 g/mol
Exact Mass228.05
IUPAC Name5-[3-(trifluoromethyl)phenyl]-1,2-oxazol-4-amine
SMILESNc1cnoc1-c1cccc(C(F)(F)F)c1
InChIInChI=1S/C10H7F3N2O/c11-10(12,13)7-3-1-2-6(4-7)9-8(14)5-15-16-9/h1-5H,14H2
InChIKeyTXDFTJZWCYNNCS-UHFFFAOYSA-N
XLogP2.94
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.17
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[5-[3-(trifluoromethyl)phenyl]-1,2-oxazol-4-yl]methanol
CID 115093775
4-bromo-5-[3-(trifluoromethyl)phenyl]-1,2-oxazol-3-amine
CID 79557110
5-[3-(trifluoromethyl)phenyl]pyridazin-4-amine
CID 117127400
4-methyl-5-[3-(trifluoromethyl)phenyl]pyrimidin-2-amine
CID 69406899
4-[3-(trifluoromethyl)phenyl]aniline
CID 2760739
5-(4-fluorophenyl)-1,2-oxazol-4-amine
CID 82410181
3-ethyl-4-[3-(trifluoromethyl)phenyl]-1,2-oxazol-5-amine
CID 43158288
6-[3-(trifluoromethyl)phenyl]-1,2,4,5-tetrazin-3-amine
CID 12535593
5-[3-(trifluoromethyl)phenyl]pyrazin-2-amine
CID 20567072
5-[1,2-dimethyl-6-(trifluoromethyl)indol-3-yl]-1,2-oxazol-4-amine
CID 115108852
5-[3-(trifluoromethyl)phenyl]thiadiazole
CID 57163700
5-methyl-2-[3-(trifluoromethyl)phenyl]pyrimidine
CID 162568225

Frequently Asked Questions

What is the IUPAC name of 5-[3-(trifluoromethyl)phenyl]-1,2-oxazol-4-amine?
The IUPAC name of 5-[3-(trifluoromethyl)phenyl]-1,2-oxazol-4-amine (CID 105485175) is 5-[3-(trifluoromethyl)phenyl]-1,2-oxazol-4-amine.
What is the SMILES notation for 5-[3-(trifluoromethyl)phenyl]-1,2-oxazol-4-amine?
The canonical SMILES for 5-[3-(trifluoromethyl)phenyl]-1,2-oxazol-4-amine is Nc1cnoc1-c1cccc(C(F)(F)F)c1.
What is the InChIKey of 5-[3-(trifluoromethyl)phenyl]-1,2-oxazol-4-amine?
The InChIKey is TXDFTJZWCYNNCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F3N2O/c11-10(12,13)7-3-1-2-6(4-7)9-8(14)5-15-16-9/h1-5H,14H2.
What are the key properties of 5-[3-(trifluoromethyl)phenyl]-1,2-oxazol-4-amine?
5-[3-(trifluoromethyl)phenyl]-1,2-oxazol-4-amine has a molecular weight of 228.17 g/mol, XLogP of 2.94, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(trifluoromethyl)phenyl]-1,2-oxazol-4-amine is sourced from PubChem (CID 105485175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).