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

C13H8F2N2O2 — CID 66201306

IUPAC4-(2,4-difluorophenyl)-5-(furan-2-yl)-1,2-oxazol-3-amine
SMILESNc1noc(-c2ccco2)c1-c1ccc(F)cc1F
InChIInChI=1S/C13H8F2N2O2/c14-7-3-4-8(9(15)6-7)11-12(19-17-13(11)16)10-2-1-5-18-10/h1-6H,(H2,16,17)
InChIKeySZRKWRMVYIPWRJ-UHFFFAOYSA-N
MW262.22 g/mol
LogP3.46
Rot. Bonds2

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

4-(2,4-difluorophenyl)-5-(furan-2-yl)-1,2-oxazol-3-amine (PubChem CID 66201306) has the molecular formula C13H8F2N2O2 and a molecular weight of 262.22 g/mol. Its IUPAC name is 4-(2,4-difluorophenyl)-5-(furan-2-yl)-1,2-oxazol-3-amine.

Molecular Properties

Compound Name4-(2,4-difluorophenyl)-5-(furan-2-yl)-1,2-oxazol-3-amine
PubChem CID66201306
Molecular FormulaC13H8F2N2O2
Molecular Weight262.22 g/mol
Exact Mass262.06
IUPAC Name4-(2,4-difluorophenyl)-5-(furan-2-yl)-1,2-oxazol-3-amine
SMILESNc1noc(-c2ccco2)c1-c1ccc(F)cc1F
InChIInChI=1S/C13H8F2N2O2/c14-7-3-4-8(9(15)6-7)11-12(19-17-13(11)16)10-2-1-5-18-10/h1-6H,(H2,16,17)
InChIKeySZRKWRMVYIPWRJ-UHFFFAOYSA-N
XLogP3.46
TPSA65.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.22
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2,4-difluorophenyl)-5-(furan-2-yl)-1,2-oxazol-3-amine?
The IUPAC name of 4-(2,4-difluorophenyl)-5-(furan-2-yl)-1,2-oxazol-3-amine (CID 66201306) is 4-(2,4-difluorophenyl)-5-(furan-2-yl)-1,2-oxazol-3-amine.
What is the SMILES notation for 4-(2,4-difluorophenyl)-5-(furan-2-yl)-1,2-oxazol-3-amine?
The canonical SMILES for 4-(2,4-difluorophenyl)-5-(furan-2-yl)-1,2-oxazol-3-amine is Nc1noc(-c2ccco2)c1-c1ccc(F)cc1F.
What is the InChIKey of 4-(2,4-difluorophenyl)-5-(furan-2-yl)-1,2-oxazol-3-amine?
The InChIKey is SZRKWRMVYIPWRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8F2N2O2/c14-7-3-4-8(9(15)6-7)11-12(19-17-13(11)16)10-2-1-5-18-10/h1-6H,(H2,16,17).
What are the key properties of 4-(2,4-difluorophenyl)-5-(furan-2-yl)-1,2-oxazol-3-amine?
4-(2,4-difluorophenyl)-5-(furan-2-yl)-1,2-oxazol-3-amine has a molecular weight of 262.22 g/mol, XLogP of 3.46, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-difluorophenyl)-5-(furan-2-yl)-1,2-oxazol-3-amine is sourced from PubChem (CID 66201306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).