5-[3-(3,5-difluoro-4-methylphenyl)phenyl]-N-(2-fluorophenyl)-1,3-oxazol-2-amine

C22H15F3N2O — CID 160905582

IUPAC5-[3-(3,5-difluoro-4-methylphenyl)phenyl]-N-(2-fluorophenyl)-1,3-oxazol-2-amine
SMILESCc1c(F)cc(-c2cccc(-c3cnc(Nc4ccccc4F)o3)c2)cc1F
InChIInChI=1S/C22H15F3N2O/c1-13-18(24)10-16(11-19(13)25)14-5-4-6-15(9-14)21-12-26-22(28-21)27-20-8-3-2-7-17(20)23/h2-12H,1H3,(H,26,27)
InChIKeyTUQUPRCGIHQGTP-UHFFFAOYSA-N
MW380.37 g/mol
LogP6.48
Rot. Bonds4

About 5-[3-(3,5-difluoro-4-methylphenyl)phenyl]-N-(2-fluorophenyl)-1,3-oxazol-2-amine

5-[3-(3,5-difluoro-4-methylphenyl)phenyl]-N-(2-fluorophenyl)-1,3-oxazol-2-amine (PubChem CID 160905582) has the molecular formula C22H15F3N2O and a molecular weight of 380.37 g/mol. Its IUPAC name is 5-[3-(3,5-difluoro-4-methylphenyl)phenyl]-N-(2-fluorophenyl)-1,3-oxazol-2-amine.

Molecular Properties

Compound Name5-[3-(3,5-difluoro-4-methylphenyl)phenyl]-N-(2-fluorophenyl)-1,3-oxazol-2-amine
PubChem CID160905582
Molecular FormulaC22H15F3N2O
Molecular Weight380.37 g/mol
Exact Mass380.11
IUPAC Name5-[3-(3,5-difluoro-4-methylphenyl)phenyl]-N-(2-fluorophenyl)-1,3-oxazol-2-amine
SMILESCc1c(F)cc(-c2cccc(-c3cnc(Nc4ccccc4F)o3)c2)cc1F
InChIInChI=1S/C22H15F3N2O/c1-13-18(24)10-16(11-19(13)25)14-5-4-6-15(9-14)21-12-26-22(28-21)27-20-8-3-2-7-17(20)23/h2-12H,1H3,(H,26,27)
InChIKeyTUQUPRCGIHQGTP-UHFFFAOYSA-N
XLogP6.48
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.37
LogP ≤ 56.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[3-(3,5-difluoro-4-methylphenyl)phenyl]-N-(2-fluorophenyl)-1,3-oxazol-2-amine?
The IUPAC name of 5-[3-(3,5-difluoro-4-methylphenyl)phenyl]-N-(2-fluorophenyl)-1,3-oxazol-2-amine (CID 160905582) is 5-[3-(3,5-difluoro-4-methylphenyl)phenyl]-N-(2-fluorophenyl)-1,3-oxazol-2-amine.
What is the SMILES notation for 5-[3-(3,5-difluoro-4-methylphenyl)phenyl]-N-(2-fluorophenyl)-1,3-oxazol-2-amine?
The canonical SMILES for 5-[3-(3,5-difluoro-4-methylphenyl)phenyl]-N-(2-fluorophenyl)-1,3-oxazol-2-amine is Cc1c(F)cc(-c2cccc(-c3cnc(Nc4ccccc4F)o3)c2)cc1F.
What is the InChIKey of 5-[3-(3,5-difluoro-4-methylphenyl)phenyl]-N-(2-fluorophenyl)-1,3-oxazol-2-amine?
The InChIKey is TUQUPRCGIHQGTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15F3N2O/c1-13-18(24)10-16(11-19(13)25)14-5-4-6-15(9-14)21-12-26-22(28-21)27-20-8-3-2-7-17(20)23/h2-12H,1H3,(H,26,27).
What are the key properties of 5-[3-(3,5-difluoro-4-methylphenyl)phenyl]-N-(2-fluorophenyl)-1,3-oxazol-2-amine?
5-[3-(3,5-difluoro-4-methylphenyl)phenyl]-N-(2-fluorophenyl)-1,3-oxazol-2-amine has a molecular weight of 380.37 g/mol, XLogP of 6.48, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(3,5-difluoro-4-methylphenyl)phenyl]-N-(2-fluorophenyl)-1,3-oxazol-2-amine is sourced from PubChem (CID 160905582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).