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

C14H15F3N2O2 — CID 66202068

IUPAC4-[4-(2-methylpropoxy)phenyl]-5-(trifluoromethyl)-1,2-oxazol-3-amine
SMILESCC(C)COc1ccc(-c2c(N)noc2C(F)(F)F)cc1
InChIInChI=1S/C14H15F3N2O2/c1-8(2)7-20-10-5-3-9(4-6-10)11-12(14(15,16)17)21-19-13(11)18/h3-6,8H,7H2,1-2H3,(H2,18,19)
InChIKeyVSLAPSXZQANMLB-UHFFFAOYSA-N
MW300.28 g/mol
LogP3.98
Rot. Bonds4

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

4-[4-(2-methylpropoxy)phenyl]-5-(trifluoromethyl)-1,2-oxazol-3-amine (PubChem CID 66202068) has the molecular formula C14H15F3N2O2 and a molecular weight of 300.28 g/mol. Its IUPAC name is 4-[4-(2-methylpropoxy)phenyl]-5-(trifluoromethyl)-1,2-oxazol-3-amine.

Molecular Properties

Compound Name4-[4-(2-methylpropoxy)phenyl]-5-(trifluoromethyl)-1,2-oxazol-3-amine
PubChem CID66202068
Molecular FormulaC14H15F3N2O2
Molecular Weight300.28 g/mol
Exact Mass300.11
IUPAC Name4-[4-(2-methylpropoxy)phenyl]-5-(trifluoromethyl)-1,2-oxazol-3-amine
SMILESCC(C)COc1ccc(-c2c(N)noc2C(F)(F)F)cc1
InChIInChI=1S/C14H15F3N2O2/c1-8(2)7-20-10-5-3-9(4-6-10)11-12(14(15,16)17)21-19-13(11)18/h3-6,8H,7H2,1-2H3,(H2,18,19)
InChIKeyVSLAPSXZQANMLB-UHFFFAOYSA-N
XLogP3.98
TPSA61.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.28
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-methylpropoxy)phenyl]-5-(trifluoromethyl)-1,2-oxazol-3-amine?
The IUPAC name of 4-[4-(2-methylpropoxy)phenyl]-5-(trifluoromethyl)-1,2-oxazol-3-amine (CID 66202068) is 4-[4-(2-methylpropoxy)phenyl]-5-(trifluoromethyl)-1,2-oxazol-3-amine.
What is the SMILES notation for 4-[4-(2-methylpropoxy)phenyl]-5-(trifluoromethyl)-1,2-oxazol-3-amine?
The canonical SMILES for 4-[4-(2-methylpropoxy)phenyl]-5-(trifluoromethyl)-1,2-oxazol-3-amine is CC(C)COc1ccc(-c2c(N)noc2C(F)(F)F)cc1.
What is the InChIKey of 4-[4-(2-methylpropoxy)phenyl]-5-(trifluoromethyl)-1,2-oxazol-3-amine?
The InChIKey is VSLAPSXZQANMLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3N2O2/c1-8(2)7-20-10-5-3-9(4-6-10)11-12(14(15,16)17)21-19-13(11)18/h3-6,8H,7H2,1-2H3,(H2,18,19).
What are the key properties of 4-[4-(2-methylpropoxy)phenyl]-5-(trifluoromethyl)-1,2-oxazol-3-amine?
4-[4-(2-methylpropoxy)phenyl]-5-(trifluoromethyl)-1,2-oxazol-3-amine has a molecular weight of 300.28 g/mol, XLogP of 3.98, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-methylpropoxy)phenyl]-5-(trifluoromethyl)-1,2-oxazol-3-amine is sourced from PubChem (CID 66202068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).