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

C10H10F2N2O2 — CID 68714282

IUPAC4-[(2,4-difluorophenoxy)methyl]-4,5-dihydro-1,3-oxazol-2-amine
SMILESNC1=NC(COc2ccc(F)cc2F)CO1
InChIInChI=1S/C10H10F2N2O2/c11-6-1-2-9(8(12)3-6)15-4-7-5-16-10(13)14-7/h1-3,7H,4-5H2,(H2,13,14)
InChIKeyZWMDEJYBPFSYPL-UHFFFAOYSA-N
MW228.20 g/mol
LogP1.06
Rot. Bonds3

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

4-[(2,4-difluorophenoxy)methyl]-4,5-dihydro-1,3-oxazol-2-amine (PubChem CID 68714282) has the molecular formula C10H10F2N2O2 and a molecular weight of 228.20 g/mol. Its IUPAC name is 4-[(2,4-difluorophenoxy)methyl]-4,5-dihydro-1,3-oxazol-2-amine.

Molecular Properties

Compound Name4-[(2,4-difluorophenoxy)methyl]-4,5-dihydro-1,3-oxazol-2-amine
PubChem CID68714282
Molecular FormulaC10H10F2N2O2
Molecular Weight228.20 g/mol
Exact Mass228.07
IUPAC Name4-[(2,4-difluorophenoxy)methyl]-4,5-dihydro-1,3-oxazol-2-amine
SMILESNC1=NC(COc2ccc(F)cc2F)CO1
InChIInChI=1S/C10H10F2N2O2/c11-6-1-2-9(8(12)3-6)15-4-7-5-16-10(13)14-7/h1-3,7H,4-5H2,(H2,13,14)
InChIKeyZWMDEJYBPFSYPL-UHFFFAOYSA-N
XLogP1.06
TPSA56.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.20
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(2,4-difluorophenoxy)methyl]-4,5-dihydro-1,3-oxazol-2-amine?
The IUPAC name of 4-[(2,4-difluorophenoxy)methyl]-4,5-dihydro-1,3-oxazol-2-amine (CID 68714282) is 4-[(2,4-difluorophenoxy)methyl]-4,5-dihydro-1,3-oxazol-2-amine.
What is the SMILES notation for 4-[(2,4-difluorophenoxy)methyl]-4,5-dihydro-1,3-oxazol-2-amine?
The canonical SMILES for 4-[(2,4-difluorophenoxy)methyl]-4,5-dihydro-1,3-oxazol-2-amine is NC1=NC(COc2ccc(F)cc2F)CO1.
What is the InChIKey of 4-[(2,4-difluorophenoxy)methyl]-4,5-dihydro-1,3-oxazol-2-amine?
The InChIKey is ZWMDEJYBPFSYPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F2N2O2/c11-6-1-2-9(8(12)3-6)15-4-7-5-16-10(13)14-7/h1-3,7H,4-5H2,(H2,13,14).
What are the key properties of 4-[(2,4-difluorophenoxy)methyl]-4,5-dihydro-1,3-oxazol-2-amine?
4-[(2,4-difluorophenoxy)methyl]-4,5-dihydro-1,3-oxazol-2-amine has a molecular weight of 228.20 g/mol, XLogP of 1.06, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,4-difluorophenoxy)methyl]-4,5-dihydro-1,3-oxazol-2-amine is sourced from PubChem (CID 68714282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).