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

C11H9F3N2O — CID 2782959

IUPAC3-methyl-4-[3-(trifluoromethyl)phenyl]-1,2-oxazol-5-amine
SMILESCc1noc(N)c1-c1cccc(C(F)(F)F)c1
InChIInChI=1S/C11H9F3N2O/c1-6-9(10(15)17-16-6)7-3-2-4-8(5-7)11(12,13)14/h2-5H,15H2,1H3
InChIKeyRCAOVLVIOVBPIB-UHFFFAOYSA-N
MW242.20 g/mol
LogP3.25
Rot. Bonds1

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

3-methyl-4-[3-(trifluoromethyl)phenyl]-1,2-oxazol-5-amine (PubChem CID 2782959) has the molecular formula C11H9F3N2O and a molecular weight of 242.20 g/mol. Its IUPAC name is 3-methyl-4-[3-(trifluoromethyl)phenyl]-1,2-oxazol-5-amine.

Molecular Properties

Compound Name3-methyl-4-[3-(trifluoromethyl)phenyl]-1,2-oxazol-5-amine
PubChem CID2782959
Molecular FormulaC11H9F3N2O
Molecular Weight242.20 g/mol
Exact Mass242.07
IUPAC Name3-methyl-4-[3-(trifluoromethyl)phenyl]-1,2-oxazol-5-amine
SMILESCc1noc(N)c1-c1cccc(C(F)(F)F)c1
InChIInChI=1S/C11H9F3N2O/c1-6-9(10(15)17-16-6)7-3-2-4-8(5-7)11(12,13)14/h2-5H,15H2,1H3
InChIKeyRCAOVLVIOVBPIB-UHFFFAOYSA-N
XLogP3.25
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.20
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-[3-(trifluoromethyl)phenyl]-1,2-oxazol-5-amine?
The IUPAC name of 3-methyl-4-[3-(trifluoromethyl)phenyl]-1,2-oxazol-5-amine (CID 2782959) is 3-methyl-4-[3-(trifluoromethyl)phenyl]-1,2-oxazol-5-amine.
What is the SMILES notation for 3-methyl-4-[3-(trifluoromethyl)phenyl]-1,2-oxazol-5-amine?
The canonical SMILES for 3-methyl-4-[3-(trifluoromethyl)phenyl]-1,2-oxazol-5-amine is Cc1noc(N)c1-c1cccc(C(F)(F)F)c1.
What is the InChIKey of 3-methyl-4-[3-(trifluoromethyl)phenyl]-1,2-oxazol-5-amine?
The InChIKey is RCAOVLVIOVBPIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F3N2O/c1-6-9(10(15)17-16-6)7-3-2-4-8(5-7)11(12,13)14/h2-5H,15H2,1H3.
What are the key properties of 3-methyl-4-[3-(trifluoromethyl)phenyl]-1,2-oxazol-5-amine?
3-methyl-4-[3-(trifluoromethyl)phenyl]-1,2-oxazol-5-amine has a molecular weight of 242.20 g/mol, XLogP of 3.25, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-[3-(trifluoromethyl)phenyl]-1,2-oxazol-5-amine is sourced from PubChem (CID 2782959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).