4-[2-(3,4-difluorophenoxy)ethyl]-4,5-dihydro-1,3-oxazol-2-amine

C11H12F2N2O2 — CID 67180774

IUPAC4-[2-(3,4-difluorophenoxy)ethyl]-4,5-dihydro-1,3-oxazol-2-amine
SMILESNC1=NC(CCOc2ccc(F)c(F)c2)CO1
InChIInChI=1S/C11H12F2N2O2/c12-9-2-1-8(5-10(9)13)16-4-3-7-6-17-11(14)15-7/h1-2,5,7H,3-4,6H2,(H2,14,15)
InChIKeyQFQHRMALOYATMW-UHFFFAOYSA-N
MW242.22 g/mol
LogP1.45
Rot. Bonds4

About 4-[2-(3,4-difluorophenoxy)ethyl]-4,5-dihydro-1,3-oxazol-2-amine

4-[2-(3,4-difluorophenoxy)ethyl]-4,5-dihydro-1,3-oxazol-2-amine (PubChem CID 67180774) has the molecular formula C11H12F2N2O2 and a molecular weight of 242.22 g/mol. Its IUPAC name is 4-[2-(3,4-difluorophenoxy)ethyl]-4,5-dihydro-1,3-oxazol-2-amine.

Molecular Properties

Compound Name4-[2-(3,4-difluorophenoxy)ethyl]-4,5-dihydro-1,3-oxazol-2-amine
PubChem CID67180774
Molecular FormulaC11H12F2N2O2
Molecular Weight242.22 g/mol
Exact Mass242.09
IUPAC Name4-[2-(3,4-difluorophenoxy)ethyl]-4,5-dihydro-1,3-oxazol-2-amine
SMILESNC1=NC(CCOc2ccc(F)c(F)c2)CO1
InChIInChI=1S/C11H12F2N2O2/c12-9-2-1-8(5-10(9)13)16-4-3-7-6-17-11(14)15-7/h1-2,5,7H,3-4,6H2,(H2,14,15)
InChIKeyQFQHRMALOYATMW-UHFFFAOYSA-N
XLogP1.45
TPSA56.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.22
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(3,4-difluorophenoxy)ethyl]-4,5-dihydro-1,3-oxazol-2-amine?
The IUPAC name of 4-[2-(3,4-difluorophenoxy)ethyl]-4,5-dihydro-1,3-oxazol-2-amine (CID 67180774) is 4-[2-(3,4-difluorophenoxy)ethyl]-4,5-dihydro-1,3-oxazol-2-amine.
What is the SMILES notation for 4-[2-(3,4-difluorophenoxy)ethyl]-4,5-dihydro-1,3-oxazol-2-amine?
The canonical SMILES for 4-[2-(3,4-difluorophenoxy)ethyl]-4,5-dihydro-1,3-oxazol-2-amine is NC1=NC(CCOc2ccc(F)c(F)c2)CO1.
What is the InChIKey of 4-[2-(3,4-difluorophenoxy)ethyl]-4,5-dihydro-1,3-oxazol-2-amine?
The InChIKey is QFQHRMALOYATMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F2N2O2/c12-9-2-1-8(5-10(9)13)16-4-3-7-6-17-11(14)15-7/h1-2,5,7H,3-4,6H2,(H2,14,15).
What are the key properties of 4-[2-(3,4-difluorophenoxy)ethyl]-4,5-dihydro-1,3-oxazol-2-amine?
4-[2-(3,4-difluorophenoxy)ethyl]-4,5-dihydro-1,3-oxazol-2-amine has a molecular weight of 242.22 g/mol, XLogP of 1.45, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3,4-difluorophenoxy)ethyl]-4,5-dihydro-1,3-oxazol-2-amine is sourced from PubChem (CID 67180774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).