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

C11H12F2N2O — CID 68716355

IUPAC4-[2-(3,5-difluorophenyl)ethyl]-4,5-dihydro-1,3-oxazol-2-amine
SMILESNC1=NC(CCc2cc(F)cc(F)c2)CO1
InChIInChI=1S/C11H12F2N2O/c12-8-3-7(4-9(13)5-8)1-2-10-6-16-11(14)15-10/h3-5,10H,1-2,6H2,(H2,14,15)
InChIKeyLAEWUNVDWSAZAH-UHFFFAOYSA-N
MW226.23 g/mol
LogP1.61
Rot. Bonds3

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

4-[2-(3,5-difluorophenyl)ethyl]-4,5-dihydro-1,3-oxazol-2-amine (PubChem CID 68716355) has the molecular formula C11H12F2N2O and a molecular weight of 226.23 g/mol. Its IUPAC name is 4-[2-(3,5-difluorophenyl)ethyl]-4,5-dihydro-1,3-oxazol-2-amine.

Molecular Properties

Compound Name4-[2-(3,5-difluorophenyl)ethyl]-4,5-dihydro-1,3-oxazol-2-amine
PubChem CID68716355
Molecular FormulaC11H12F2N2O
Molecular Weight226.23 g/mol
Exact Mass226.09
IUPAC Name4-[2-(3,5-difluorophenyl)ethyl]-4,5-dihydro-1,3-oxazol-2-amine
SMILESNC1=NC(CCc2cc(F)cc(F)c2)CO1
InChIInChI=1S/C11H12F2N2O/c12-8-3-7(4-9(13)5-8)1-2-10-6-16-11(14)15-10/h3-5,10H,1-2,6H2,(H2,14,15)
InChIKeyLAEWUNVDWSAZAH-UHFFFAOYSA-N
XLogP1.61
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.23
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(3,5-difluorophenyl)ethyl]-4,5-dihydro-1,3-oxazol-2-amine?
The IUPAC name of 4-[2-(3,5-difluorophenyl)ethyl]-4,5-dihydro-1,3-oxazol-2-amine (CID 68716355) is 4-[2-(3,5-difluorophenyl)ethyl]-4,5-dihydro-1,3-oxazol-2-amine.
What is the SMILES notation for 4-[2-(3,5-difluorophenyl)ethyl]-4,5-dihydro-1,3-oxazol-2-amine?
The canonical SMILES for 4-[2-(3,5-difluorophenyl)ethyl]-4,5-dihydro-1,3-oxazol-2-amine is NC1=NC(CCc2cc(F)cc(F)c2)CO1.
What is the InChIKey of 4-[2-(3,5-difluorophenyl)ethyl]-4,5-dihydro-1,3-oxazol-2-amine?
The InChIKey is LAEWUNVDWSAZAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F2N2O/c12-8-3-7(4-9(13)5-8)1-2-10-6-16-11(14)15-10/h3-5,10H,1-2,6H2,(H2,14,15).
What are the key properties of 4-[2-(3,5-difluorophenyl)ethyl]-4,5-dihydro-1,3-oxazol-2-amine?
4-[2-(3,5-difluorophenyl)ethyl]-4,5-dihydro-1,3-oxazol-2-amine has a molecular weight of 226.23 g/mol, XLogP of 1.61, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3,5-difluorophenyl)ethyl]-4,5-dihydro-1,3-oxazol-2-amine is sourced from PubChem (CID 68716355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).