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

C15H9F3N2O — CID 66198579

IUPAC5-(3,4-difluorophenyl)-4-(3-fluorophenyl)-1,2-oxazol-3-amine
SMILESNc1noc(-c2ccc(F)c(F)c2)c1-c1cccc(F)c1
InChIInChI=1S/C15H9F3N2O/c16-10-3-1-2-8(6-10)13-14(21-20-15(13)19)9-4-5-11(17)12(18)7-9/h1-7H,(H2,19,20)
InChIKeyXUCFFKOLPOWJMZ-UHFFFAOYSA-N
MW290.24 g/mol
LogP4.01
Rot. Bonds2

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

5-(3,4-difluorophenyl)-4-(3-fluorophenyl)-1,2-oxazol-3-amine (PubChem CID 66198579) has the molecular formula C15H9F3N2O and a molecular weight of 290.24 g/mol. Its IUPAC name is 5-(3,4-difluorophenyl)-4-(3-fluorophenyl)-1,2-oxazol-3-amine.

Molecular Properties

Compound Name5-(3,4-difluorophenyl)-4-(3-fluorophenyl)-1,2-oxazol-3-amine
PubChem CID66198579
Molecular FormulaC15H9F3N2O
Molecular Weight290.24 g/mol
Exact Mass290.07
IUPAC Name5-(3,4-difluorophenyl)-4-(3-fluorophenyl)-1,2-oxazol-3-amine
SMILESNc1noc(-c2ccc(F)c(F)c2)c1-c1cccc(F)c1
InChIInChI=1S/C15H9F3N2O/c16-10-3-1-2-8(6-10)13-14(21-20-15(13)19)9-4-5-11(17)12(18)7-9/h1-7H,(H2,19,20)
InChIKeyXUCFFKOLPOWJMZ-UHFFFAOYSA-N
XLogP4.01
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.24
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(2,6-dichlorophenyl)-4-(3-fluorophenyl)-1,2-oxazol-3-amine
CID 66198577
5-(2-bromo-6-fluorophenyl)-4-(3-fluorophenyl)-1,2-oxazol-3-amine
CID 114561326
5-(4-bromo-2-fluorophenyl)-4-(3-fluorophenyl)-1,2-oxazol-3-amine
CID 66198773
5-(5-fluoro-2-methylphenyl)-4-(3-fluorophenyl)-1,2-oxazol-3-amine
CID 66197977
4-(3-fluorophenyl)-5-(2-methylfuran-3-yl)-1,2-oxazol-3-amine
CID 66198177
4-bromo-5-(3,4-difluorophenyl)-1,2-oxazol-3-amine
CID 79556113
5-(3-fluorophenyl)-4-(2-methoxyphenyl)-1,2-oxazol-3-amine
CID 66199764
5-(2,2-dimethylpropyl)-4-(3-fluorophenyl)-1,2-oxazol-3-amine
CID 66199575
5-(5-chloro-2-fluorophenyl)-4-(3-chlorophenyl)-1,2-oxazol-3-amine
CID 66197900
5-(4-bromo-2-chlorophenyl)-4-(3-fluorophenyl)-1,2-oxazol-3-amine
CID 66199777
4-(4-bromophenyl)-5-(3-chloro-4-fluorophenyl)-1,2-oxazol-3-amine
CID 82878283
5-(3-chlorophenyl)-4-phenyl-1,2-oxazol-3-amine
CID 66199504

Frequently Asked Questions

What is the IUPAC name of 5-(3,4-difluorophenyl)-4-(3-fluorophenyl)-1,2-oxazol-3-amine?
The IUPAC name of 5-(3,4-difluorophenyl)-4-(3-fluorophenyl)-1,2-oxazol-3-amine (CID 66198579) is 5-(3,4-difluorophenyl)-4-(3-fluorophenyl)-1,2-oxazol-3-amine.
What is the SMILES notation for 5-(3,4-difluorophenyl)-4-(3-fluorophenyl)-1,2-oxazol-3-amine?
The canonical SMILES for 5-(3,4-difluorophenyl)-4-(3-fluorophenyl)-1,2-oxazol-3-amine is Nc1noc(-c2ccc(F)c(F)c2)c1-c1cccc(F)c1.
What is the InChIKey of 5-(3,4-difluorophenyl)-4-(3-fluorophenyl)-1,2-oxazol-3-amine?
The InChIKey is XUCFFKOLPOWJMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9F3N2O/c16-10-3-1-2-8(6-10)13-14(21-20-15(13)19)9-4-5-11(17)12(18)7-9/h1-7H,(H2,19,20).
What are the key properties of 5-(3,4-difluorophenyl)-4-(3-fluorophenyl)-1,2-oxazol-3-amine?
5-(3,4-difluorophenyl)-4-(3-fluorophenyl)-1,2-oxazol-3-amine has a molecular weight of 290.24 g/mol, XLogP of 4.01, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-difluorophenyl)-4-(3-fluorophenyl)-1,2-oxazol-3-amine is sourced from PubChem (CID 66198579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).