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

C15H9F3N2O — CID 64559713

IUPAC4-(2,4-difluorophenyl)-3-(2-fluorophenyl)-1,2-oxazol-5-amine
SMILESNc1onc(-c2ccccc2F)c1-c1ccc(F)cc1F
InChIInChI=1S/C15H9F3N2O/c16-8-5-6-9(12(18)7-8)13-14(20-21-15(13)19)10-3-1-2-4-11(10)17/h1-7H,19H2
InChIKeySHNQSIZMBFIEKM-UHFFFAOYSA-N
MW290.24 g/mol
LogP4.01
Rot. Bonds2

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

4-(2,4-difluorophenyl)-3-(2-fluorophenyl)-1,2-oxazol-5-amine (PubChem CID 64559713) has the molecular formula C15H9F3N2O and a molecular weight of 290.24 g/mol. Its IUPAC name is 4-(2,4-difluorophenyl)-3-(2-fluorophenyl)-1,2-oxazol-5-amine.

Molecular Properties

Compound Name4-(2,4-difluorophenyl)-3-(2-fluorophenyl)-1,2-oxazol-5-amine
PubChem CID64559713
Molecular FormulaC15H9F3N2O
Molecular Weight290.24 g/mol
Exact Mass290.07
IUPAC Name4-(2,4-difluorophenyl)-3-(2-fluorophenyl)-1,2-oxazol-5-amine
SMILESNc1onc(-c2ccccc2F)c1-c1ccc(F)cc1F
InChIInChI=1S/C15H9F3N2O/c16-8-5-6-9(12(18)7-8)13-14(20-21-15(13)19)10-3-1-2-4-11(10)17/h1-7H,19H2
InChIKeySHNQSIZMBFIEKM-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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Frequently Asked Questions

What is the IUPAC name of 4-(2,4-difluorophenyl)-3-(2-fluorophenyl)-1,2-oxazol-5-amine?
The IUPAC name of 4-(2,4-difluorophenyl)-3-(2-fluorophenyl)-1,2-oxazol-5-amine (CID 64559713) is 4-(2,4-difluorophenyl)-3-(2-fluorophenyl)-1,2-oxazol-5-amine.
What is the SMILES notation for 4-(2,4-difluorophenyl)-3-(2-fluorophenyl)-1,2-oxazol-5-amine?
The canonical SMILES for 4-(2,4-difluorophenyl)-3-(2-fluorophenyl)-1,2-oxazol-5-amine is Nc1onc(-c2ccccc2F)c1-c1ccc(F)cc1F.
What is the InChIKey of 4-(2,4-difluorophenyl)-3-(2-fluorophenyl)-1,2-oxazol-5-amine?
The InChIKey is SHNQSIZMBFIEKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9F3N2O/c16-8-5-6-9(12(18)7-8)13-14(20-21-15(13)19)10-3-1-2-4-11(10)17/h1-7H,19H2.
What are the key properties of 4-(2,4-difluorophenyl)-3-(2-fluorophenyl)-1,2-oxazol-5-amine?
4-(2,4-difluorophenyl)-3-(2-fluorophenyl)-1,2-oxazol-5-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 4-(2,4-difluorophenyl)-3-(2-fluorophenyl)-1,2-oxazol-5-amine is sourced from PubChem (CID 64559713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).