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

C17H15FN2O — CID 66200765

IUPAC5-(3,4-dimethylphenyl)-4-(2-fluorophenyl)-1,2-oxazol-3-amine
SMILESCc1ccc(-c2onc(N)c2-c2ccccc2F)cc1C
InChIInChI=1S/C17H15FN2O/c1-10-7-8-12(9-11(10)2)16-15(17(19)20-21-16)13-5-3-4-6-14(13)18/h3-9H,1-2H3,(H2,19,20)
InChIKeyRDOXRETZNOBCGU-UHFFFAOYSA-N
MW282.32 g/mol
LogP4.35
Rot. Bonds2

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

5-(3,4-dimethylphenyl)-4-(2-fluorophenyl)-1,2-oxazol-3-amine (PubChem CID 66200765) has the molecular formula C17H15FN2O and a molecular weight of 282.32 g/mol. Its IUPAC name is 5-(3,4-dimethylphenyl)-4-(2-fluorophenyl)-1,2-oxazol-3-amine.

Molecular Properties

Compound Name5-(3,4-dimethylphenyl)-4-(2-fluorophenyl)-1,2-oxazol-3-amine
PubChem CID66200765
Molecular FormulaC17H15FN2O
Molecular Weight282.32 g/mol
Exact Mass282.12
IUPAC Name5-(3,4-dimethylphenyl)-4-(2-fluorophenyl)-1,2-oxazol-3-amine
SMILESCc1ccc(-c2onc(N)c2-c2ccccc2F)cc1C
InChIInChI=1S/C17H15FN2O/c1-10-7-8-12(9-11(10)2)16-15(17(19)20-21-16)13-5-3-4-6-14(13)18/h3-9H,1-2H3,(H2,19,20)
InChIKeyRDOXRETZNOBCGU-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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Related Compounds

4-(2-fluorophenyl)-5-(3-methylphenyl)-1,2-oxazol-3-amine
CID 66199355
5-(3,5-difluorophenyl)-4-(2-fluorophenyl)-1,2-oxazol-3-amine
CID 66199755
4-(3,4-dimethylphenyl)-5-(2-methylphenyl)-1,2-oxazol-3-amine
CID 66201119
4-(2-fluorophenyl)-5-(4-methoxyphenyl)-1,2-oxazol-3-amine
CID 66200762
5-(3-chloro-4-fluorophenyl)-4-(2-methylphenyl)-1,2-oxazol-3-amine
CID 82878281
5-(3-bromo-4-methylphenyl)-4-(2-bromophenyl)-1,2-oxazol-3-amine
CID 81480212
4-(2-fluorophenyl)-5-(5-fluoro-3-pyridinyl)-1,2-oxazol-3-amine
CID 104786774
4-(2-fluorophenyl)-5-thiophen-3-yl-1,2-oxazol-3-amine
CID 66199158
5-(3-fluoro-4-methylphenyl)-4-pyridin-2-yl-1,2-oxazol-3-amine
CID 80522275
5-(4-iodophenyl)-4-(2-methylphenyl)-1,2-oxazol-3-amine
CID 66205001
5-(2,3-difluorophenyl)-4-(2-methylphenyl)-1,2-oxazol-3-amine
CID 66198096
4-(2-methylphenyl)-5-(3-methylphenyl)-1,2-oxazol-3-amine
CID 66205199

Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dimethylphenyl)-4-(2-fluorophenyl)-1,2-oxazol-3-amine?
The IUPAC name of 5-(3,4-dimethylphenyl)-4-(2-fluorophenyl)-1,2-oxazol-3-amine (CID 66200765) is 5-(3,4-dimethylphenyl)-4-(2-fluorophenyl)-1,2-oxazol-3-amine.
What is the SMILES notation for 5-(3,4-dimethylphenyl)-4-(2-fluorophenyl)-1,2-oxazol-3-amine?
The canonical SMILES for 5-(3,4-dimethylphenyl)-4-(2-fluorophenyl)-1,2-oxazol-3-amine is Cc1ccc(-c2onc(N)c2-c2ccccc2F)cc1C.
What is the InChIKey of 5-(3,4-dimethylphenyl)-4-(2-fluorophenyl)-1,2-oxazol-3-amine?
The InChIKey is RDOXRETZNOBCGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN2O/c1-10-7-8-12(9-11(10)2)16-15(17(19)20-21-16)13-5-3-4-6-14(13)18/h3-9H,1-2H3,(H2,19,20).
What are the key properties of 5-(3,4-dimethylphenyl)-4-(2-fluorophenyl)-1,2-oxazol-3-amine?
5-(3,4-dimethylphenyl)-4-(2-fluorophenyl)-1,2-oxazol-3-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 5-(3,4-dimethylphenyl)-4-(2-fluorophenyl)-1,2-oxazol-3-amine is sourced from PubChem (CID 66200765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).