4-(2,4-difluorophenyl)-5-phenyl-1,2-oxazol-3-amine

C15H10F2N2O — CID 66204007

IUPAC4-(2,4-difluorophenyl)-5-phenyl-1,2-oxazol-3-amine
SMILESNc1noc(-c2ccccc2)c1-c1ccc(F)cc1F
InChIInChI=1S/C15H10F2N2O/c16-10-6-7-11(12(17)8-10)13-14(20-19-15(13)18)9-4-2-1-3-5-9/h1-8H,(H2,18,19)
InChIKeyGUPZLYYWXDTDIV-UHFFFAOYSA-N
MW272.25 g/mol
LogP3.87
Rot. Bonds2

About 4-(2,4-difluorophenyl)-5-phenyl-1,2-oxazol-3-amine

4-(2,4-difluorophenyl)-5-phenyl-1,2-oxazol-3-amine (PubChem CID 66204007) has the molecular formula C15H10F2N2O and a molecular weight of 272.25 g/mol. Its IUPAC name is 4-(2,4-difluorophenyl)-5-phenyl-1,2-oxazol-3-amine.

Molecular Properties

Compound Name4-(2,4-difluorophenyl)-5-phenyl-1,2-oxazol-3-amine
PubChem CID66204007
Molecular FormulaC15H10F2N2O
Molecular Weight272.25 g/mol
Exact Mass272.08
IUPAC Name4-(2,4-difluorophenyl)-5-phenyl-1,2-oxazol-3-amine
SMILESNc1noc(-c2ccccc2)c1-c1ccc(F)cc1F
InChIInChI=1S/C15H10F2N2O/c16-10-6-7-11(12(17)8-10)13-14(20-19-15(13)18)9-4-2-1-3-5-9/h1-8H,(H2,18,19)
InChIKeyGUPZLYYWXDTDIV-UHFFFAOYSA-N
XLogP3.87
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.25
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2,4-difluorophenyl)-5-pyridin-4-yl-1,2-oxazol-3-amine
CID 66201497
4-(2,4-difluorophenyl)-5-(4-iodophenyl)-1,2-oxazol-3-amine
CID 66201692
4-(2,4-difluorophenyl)-5-(2-iodophenyl)-1,2-oxazol-3-amine
CID 66202082
5-(2-chlorophenyl)-4-(2,4-difluorophenyl)-1,2-oxazol-3-amine
CID 66202274
4-(2,4-difluorophenyl)-5-(furan-2-yl)-1,2-oxazol-3-amine
CID 66201306
5-(3,5-difluorophenyl)-4-(2-fluorophenyl)-1,2-oxazol-3-amine
CID 66199755
4-(2,4-difluorophenyl)-5-(5-fluoro-2-pyridinyl)-1,2-oxazol-3-amine
CID 104643350
4-(2,4-difluorophenyl)-5-(5-methylthiophen-2-yl)-1,2-oxazol-3-amine
CID 66201498
4-(2,4-difluorophenyl)-5-(3-methylthiophen-2-yl)-1,2-oxazol-3-amine
CID 66202081
4-(2-chlorophenyl)-5-(4-fluorophenyl)-1,2-oxazol-3-amine
CID 66205397
4-(2-fluorophenyl)-5-(5-fluoro-3-pyridinyl)-1,2-oxazol-3-amine
CID 104786774
4-(2-fluorophenyl)-5-(3-methylphenyl)-1,2-oxazol-3-amine
CID 66199355

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-difluorophenyl)-5-phenyl-1,2-oxazol-3-amine?
The IUPAC name of 4-(2,4-difluorophenyl)-5-phenyl-1,2-oxazol-3-amine (CID 66204007) is 4-(2,4-difluorophenyl)-5-phenyl-1,2-oxazol-3-amine.
What is the SMILES notation for 4-(2,4-difluorophenyl)-5-phenyl-1,2-oxazol-3-amine?
The canonical SMILES for 4-(2,4-difluorophenyl)-5-phenyl-1,2-oxazol-3-amine is Nc1noc(-c2ccccc2)c1-c1ccc(F)cc1F.
What is the InChIKey of 4-(2,4-difluorophenyl)-5-phenyl-1,2-oxazol-3-amine?
The InChIKey is GUPZLYYWXDTDIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F2N2O/c16-10-6-7-11(12(17)8-10)13-14(20-19-15(13)18)9-4-2-1-3-5-9/h1-8H,(H2,18,19).
What are the key properties of 4-(2,4-difluorophenyl)-5-phenyl-1,2-oxazol-3-amine?
4-(2,4-difluorophenyl)-5-phenyl-1,2-oxazol-3-amine has a molecular weight of 272.25 g/mol, XLogP of 3.87, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-difluorophenyl)-5-phenyl-1,2-oxazol-3-amine is sourced from PubChem (CID 66204007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).