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

C11H9F3N2O2 — CID 15613900

IUPAC4-(4-methoxyphenyl)-5-(trifluoromethyl)-1,2-oxazol-3-amine
SMILESCOc1ccc(-c2c(N)noc2C(F)(F)F)cc1
InChIInChI=1S/C11H9F3N2O2/c1-17-7-4-2-6(3-5-7)8-9(11(12,13)14)18-16-10(8)15/h2-5H,1H3,(H2,15,16)
InChIKeyXDMHBNJVFPHWAZ-UHFFFAOYSA-N
MW258.20 g/mol
LogP2.95
Rot. Bonds2

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

4-(4-methoxyphenyl)-5-(trifluoromethyl)-1,2-oxazol-3-amine (PubChem CID 15613900) has the molecular formula C11H9F3N2O2 and a molecular weight of 258.20 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)-5-(trifluoromethyl)-1,2-oxazol-3-amine.

Molecular Properties

Compound Name4-(4-methoxyphenyl)-5-(trifluoromethyl)-1,2-oxazol-3-amine
PubChem CID15613900
Molecular FormulaC11H9F3N2O2
Molecular Weight258.20 g/mol
Exact Mass258.06
IUPAC Name4-(4-methoxyphenyl)-5-(trifluoromethyl)-1,2-oxazol-3-amine
SMILESCOc1ccc(-c2c(N)noc2C(F)(F)F)cc1
InChIInChI=1S/C11H9F3N2O2/c1-17-7-4-2-6(3-5-7)8-9(11(12,13)14)18-16-10(8)15/h2-5H,1H3,(H2,15,16)
InChIKeyXDMHBNJVFPHWAZ-UHFFFAOYSA-N
XLogP2.95
TPSA61.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.20
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenyl)-5-(trifluoromethyl)-1,2-oxazol-3-amine?
The IUPAC name of 4-(4-methoxyphenyl)-5-(trifluoromethyl)-1,2-oxazol-3-amine (CID 15613900) is 4-(4-methoxyphenyl)-5-(trifluoromethyl)-1,2-oxazol-3-amine.
What is the SMILES notation for 4-(4-methoxyphenyl)-5-(trifluoromethyl)-1,2-oxazol-3-amine?
The canonical SMILES for 4-(4-methoxyphenyl)-5-(trifluoromethyl)-1,2-oxazol-3-amine is COc1ccc(-c2c(N)noc2C(F)(F)F)cc1.
What is the InChIKey of 4-(4-methoxyphenyl)-5-(trifluoromethyl)-1,2-oxazol-3-amine?
The InChIKey is XDMHBNJVFPHWAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F3N2O2/c1-17-7-4-2-6(3-5-7)8-9(11(12,13)14)18-16-10(8)15/h2-5H,1H3,(H2,15,16).
What are the key properties of 4-(4-methoxyphenyl)-5-(trifluoromethyl)-1,2-oxazol-3-amine?
4-(4-methoxyphenyl)-5-(trifluoromethyl)-1,2-oxazol-3-amine has a molecular weight of 258.20 g/mol, XLogP of 2.95, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenyl)-5-(trifluoromethyl)-1,2-oxazol-3-amine is sourced from PubChem (CID 15613900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).