3-(2-fluoro-5-methylphenyl)-4-(2-methylphenyl)-1,2-oxazol-5-amine

C17H15FN2O — CID 62514498

IUPAC3-(2-fluoro-5-methylphenyl)-4-(2-methylphenyl)-1,2-oxazol-5-amine
SMILESCc1ccc(F)c(-c2noc(N)c2-c2ccccc2C)c1
InChIInChI=1S/C17H15FN2O/c1-10-7-8-14(18)13(9-10)16-15(17(19)21-20-16)12-6-4-3-5-11(12)2/h3-9H,19H2,1-2H3
InChIKeyBKZCNIACIJAITF-UHFFFAOYSA-N
MW282.32 g/mol
LogP4.35
Rot. Bonds2

About 3-(2-fluoro-5-methylphenyl)-4-(2-methylphenyl)-1,2-oxazol-5-amine

3-(2-fluoro-5-methylphenyl)-4-(2-methylphenyl)-1,2-oxazol-5-amine (PubChem CID 62514498) has the molecular formula C17H15FN2O and a molecular weight of 282.32 g/mol. Its IUPAC name is 3-(2-fluoro-5-methylphenyl)-4-(2-methylphenyl)-1,2-oxazol-5-amine.

Molecular Properties

Compound Name3-(2-fluoro-5-methylphenyl)-4-(2-methylphenyl)-1,2-oxazol-5-amine
PubChem CID62514498
Molecular FormulaC17H15FN2O
Molecular Weight282.32 g/mol
Exact Mass282.12
IUPAC Name3-(2-fluoro-5-methylphenyl)-4-(2-methylphenyl)-1,2-oxazol-5-amine
SMILESCc1ccc(F)c(-c2noc(N)c2-c2ccccc2C)c1
InChIInChI=1S/C17H15FN2O/c1-10-7-8-14(18)13(9-10)16-15(17(19)21-20-16)12-6-4-3-5-11(12)2/h3-9H,19H2,1-2H3
InChIKeyBKZCNIACIJAITF-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-fluoro-5-methylphenyl)-4-(2-methylphenyl)-1,2-oxazol-5-amine?
The IUPAC name of 3-(2-fluoro-5-methylphenyl)-4-(2-methylphenyl)-1,2-oxazol-5-amine (CID 62514498) is 3-(2-fluoro-5-methylphenyl)-4-(2-methylphenyl)-1,2-oxazol-5-amine.
What is the SMILES notation for 3-(2-fluoro-5-methylphenyl)-4-(2-methylphenyl)-1,2-oxazol-5-amine?
The canonical SMILES for 3-(2-fluoro-5-methylphenyl)-4-(2-methylphenyl)-1,2-oxazol-5-amine is Cc1ccc(F)c(-c2noc(N)c2-c2ccccc2C)c1.
What is the InChIKey of 3-(2-fluoro-5-methylphenyl)-4-(2-methylphenyl)-1,2-oxazol-5-amine?
The InChIKey is BKZCNIACIJAITF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN2O/c1-10-7-8-14(18)13(9-10)16-15(17(19)21-20-16)12-6-4-3-5-11(12)2/h3-9H,19H2,1-2H3.
What are the key properties of 3-(2-fluoro-5-methylphenyl)-4-(2-methylphenyl)-1,2-oxazol-5-amine?
3-(2-fluoro-5-methylphenyl)-4-(2-methylphenyl)-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-fluoro-5-methylphenyl)-4-(2-methylphenyl)-1,2-oxazol-5-amine is sourced from PubChem (CID 62514498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).