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

C10H8F2N2O — CID 117299819

IUPAC3-[2-(difluoromethyl)phenyl]-1,2-oxazol-5-amine
SMILESNc1cc(-c2ccccc2C(F)F)no1
InChIInChI=1S/C10H8F2N2O/c11-10(12)7-4-2-1-3-6(7)8-5-9(13)15-14-8/h1-5,10H,13H2
InChIKeyITQPIYHQVMSKRP-UHFFFAOYSA-N
MW210.18 g/mol
LogP2.86
Rot. Bonds2

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

3-[2-(difluoromethyl)phenyl]-1,2-oxazol-5-amine (PubChem CID 117299819) has the molecular formula C10H8F2N2O and a molecular weight of 210.18 g/mol. Its IUPAC name is 3-[2-(difluoromethyl)phenyl]-1,2-oxazol-5-amine.

Molecular Properties

Compound Name3-[2-(difluoromethyl)phenyl]-1,2-oxazol-5-amine
PubChem CID117299819
Molecular FormulaC10H8F2N2O
Molecular Weight210.18 g/mol
Exact Mass210.06
IUPAC Name3-[2-(difluoromethyl)phenyl]-1,2-oxazol-5-amine
SMILESNc1cc(-c2ccccc2C(F)F)no1
InChIInChI=1S/C10H8F2N2O/c11-10(12)7-4-2-1-3-6(7)8-5-9(13)15-14-8/h1-5,10H,13H2
InChIKeyITQPIYHQVMSKRP-UHFFFAOYSA-N
XLogP2.86
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.18
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(difluoromethyl)phenyl]-1,2-oxazol-5-amine?
The IUPAC name of 3-[2-(difluoromethyl)phenyl]-1,2-oxazol-5-amine (CID 117299819) is 3-[2-(difluoromethyl)phenyl]-1,2-oxazol-5-amine.
What is the SMILES notation for 3-[2-(difluoromethyl)phenyl]-1,2-oxazol-5-amine?
The canonical SMILES for 3-[2-(difluoromethyl)phenyl]-1,2-oxazol-5-amine is Nc1cc(-c2ccccc2C(F)F)no1.
What is the InChIKey of 3-[2-(difluoromethyl)phenyl]-1,2-oxazol-5-amine?
The InChIKey is ITQPIYHQVMSKRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F2N2O/c11-10(12)7-4-2-1-3-6(7)8-5-9(13)15-14-8/h1-5,10H,13H2.
What are the key properties of 3-[2-(difluoromethyl)phenyl]-1,2-oxazol-5-amine?
3-[2-(difluoromethyl)phenyl]-1,2-oxazol-5-amine has a molecular weight of 210.18 g/mol, XLogP of 2.86, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(difluoromethyl)phenyl]-1,2-oxazol-5-amine is sourced from PubChem (CID 117299819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).