5-[3-(difluoromethoxy)phenyl]-1,2-oxazol-3-amine

C10H8F2N2O2 — CID 66199211

IUPAC5-[3-(difluoromethoxy)phenyl]-1,2-oxazol-3-amine
SMILESNc1cc(-c2cccc(OC(F)F)c2)on1
InChIInChI=1S/C10H8F2N2O2/c11-10(12)15-7-3-1-2-6(4-7)8-5-9(13)14-16-8/h1-5,10H,(H2,13,14)
InChIKeyMAXMGXYKFHEYFG-UHFFFAOYSA-N
MW226.18 g/mol
LogP2.53
Rot. Bonds3

About 5-[3-(difluoromethoxy)phenyl]-1,2-oxazol-3-amine

5-[3-(difluoromethoxy)phenyl]-1,2-oxazol-3-amine (PubChem CID 66199211) has the molecular formula C10H8F2N2O2 and a molecular weight of 226.18 g/mol. Its IUPAC name is 5-[3-(difluoromethoxy)phenyl]-1,2-oxazol-3-amine.

Molecular Properties

Compound Name5-[3-(difluoromethoxy)phenyl]-1,2-oxazol-3-amine
PubChem CID66199211
Molecular FormulaC10H8F2N2O2
Molecular Weight226.18 g/mol
Exact Mass226.06
IUPAC Name5-[3-(difluoromethoxy)phenyl]-1,2-oxazol-3-amine
SMILESNc1cc(-c2cccc(OC(F)F)c2)on1
InChIInChI=1S/C10H8F2N2O2/c11-10(12)15-7-3-1-2-6(4-7)8-5-9(13)14-16-8/h1-5,10H,(H2,13,14)
InChIKeyMAXMGXYKFHEYFG-UHFFFAOYSA-N
XLogP2.53
TPSA61.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.18
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[3-(difluoromethoxy)phenyl]-1,2-oxazol-3-amine?
The IUPAC name of 5-[3-(difluoromethoxy)phenyl]-1,2-oxazol-3-amine (CID 66199211) is 5-[3-(difluoromethoxy)phenyl]-1,2-oxazol-3-amine.
What is the SMILES notation for 5-[3-(difluoromethoxy)phenyl]-1,2-oxazol-3-amine?
The canonical SMILES for 5-[3-(difluoromethoxy)phenyl]-1,2-oxazol-3-amine is Nc1cc(-c2cccc(OC(F)F)c2)on1.
What is the InChIKey of 5-[3-(difluoromethoxy)phenyl]-1,2-oxazol-3-amine?
The InChIKey is MAXMGXYKFHEYFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F2N2O2/c11-10(12)15-7-3-1-2-6(4-7)8-5-9(13)14-16-8/h1-5,10H,(H2,13,14).
What are the key properties of 5-[3-(difluoromethoxy)phenyl]-1,2-oxazol-3-amine?
5-[3-(difluoromethoxy)phenyl]-1,2-oxazol-3-amine has a molecular weight of 226.18 g/mol, XLogP of 2.53, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(difluoromethoxy)phenyl]-1,2-oxazol-3-amine is sourced from PubChem (CID 66199211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).