3-(2,5-dimethylphenyl)-4-(4-fluorophenyl)-1,2-oxazol-5-amine

C17H15FN2O — CID 43158169

IUPAC3-(2,5-dimethylphenyl)-4-(4-fluorophenyl)-1,2-oxazol-5-amine
SMILESCc1ccc(C)c(-c2noc(N)c2-c2ccc(F)cc2)c1
InChIInChI=1S/C17H15FN2O/c1-10-3-4-11(2)14(9-10)16-15(17(19)21-20-16)12-5-7-13(18)8-6-12/h3-9H,19H2,1-2H3
InChIKeyXABJKFAGODAWQB-UHFFFAOYSA-N
MW282.32 g/mol
LogP4.35
Rot. Bonds2

About 3-(2,5-dimethylphenyl)-4-(4-fluorophenyl)-1,2-oxazol-5-amine

3-(2,5-dimethylphenyl)-4-(4-fluorophenyl)-1,2-oxazol-5-amine (PubChem CID 43158169) has the molecular formula C17H15FN2O and a molecular weight of 282.32 g/mol. Its IUPAC name is 3-(2,5-dimethylphenyl)-4-(4-fluorophenyl)-1,2-oxazol-5-amine.

Molecular Properties

Compound Name3-(2,5-dimethylphenyl)-4-(4-fluorophenyl)-1,2-oxazol-5-amine
PubChem CID43158169
Molecular FormulaC17H15FN2O
Molecular Weight282.32 g/mol
Exact Mass282.12
IUPAC Name3-(2,5-dimethylphenyl)-4-(4-fluorophenyl)-1,2-oxazol-5-amine
SMILESCc1ccc(C)c(-c2noc(N)c2-c2ccc(F)cc2)c1
InChIInChI=1S/C17H15FN2O/c1-10-3-4-11(2)14(9-10)16-15(17(19)21-20-16)12-5-7-13(18)8-6-12/h3-9H,19H2,1-2H3
InChIKeyXABJKFAGODAWQB-UHFFFAOYSA-N
XLogP4.35
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.32
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dimethylphenyl)-4-(4-fluorophenyl)-1,2-oxazol-5-amine?
The IUPAC name of 3-(2,5-dimethylphenyl)-4-(4-fluorophenyl)-1,2-oxazol-5-amine (CID 43158169) is 3-(2,5-dimethylphenyl)-4-(4-fluorophenyl)-1,2-oxazol-5-amine.
What is the SMILES notation for 3-(2,5-dimethylphenyl)-4-(4-fluorophenyl)-1,2-oxazol-5-amine?
The canonical SMILES for 3-(2,5-dimethylphenyl)-4-(4-fluorophenyl)-1,2-oxazol-5-amine is Cc1ccc(C)c(-c2noc(N)c2-c2ccc(F)cc2)c1.
What is the InChIKey of 3-(2,5-dimethylphenyl)-4-(4-fluorophenyl)-1,2-oxazol-5-amine?
The InChIKey is XABJKFAGODAWQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN2O/c1-10-3-4-11(2)14(9-10)16-15(17(19)21-20-16)12-5-7-13(18)8-6-12/h3-9H,19H2,1-2H3.
What are the key properties of 3-(2,5-dimethylphenyl)-4-(4-fluorophenyl)-1,2-oxazol-5-amine?
3-(2,5-dimethylphenyl)-4-(4-fluorophenyl)-1,2-oxazol-5-amine has a molecular weight of 282.32 g/mol, XLogP of 4.35, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dimethylphenyl)-4-(4-fluorophenyl)-1,2-oxazol-5-amine is sourced from PubChem (CID 43158169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).