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

C10H11FN2O2 — CID 68713067

IUPAC4-[(2-fluorophenoxy)methyl]-4,5-dihydro-1,3-oxazol-2-amine
SMILESNC1=NC(COc2ccccc2F)CO1
InChIInChI=1S/C10H11FN2O2/c11-8-3-1-2-4-9(8)14-5-7-6-15-10(12)13-7/h1-4,7H,5-6H2,(H2,12,13)
InChIKeyHNBYEHVLEMPSTE-UHFFFAOYSA-N
MW210.21 g/mol
LogP0.92
Rot. Bonds3

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

4-[(2-fluorophenoxy)methyl]-4,5-dihydro-1,3-oxazol-2-amine (PubChem CID 68713067) has the molecular formula C10H11FN2O2 and a molecular weight of 210.21 g/mol. Its IUPAC name is 4-[(2-fluorophenoxy)methyl]-4,5-dihydro-1,3-oxazol-2-amine.

Molecular Properties

Compound Name4-[(2-fluorophenoxy)methyl]-4,5-dihydro-1,3-oxazol-2-amine
PubChem CID68713067
Molecular FormulaC10H11FN2O2
Molecular Weight210.21 g/mol
Exact Mass210.08
IUPAC Name4-[(2-fluorophenoxy)methyl]-4,5-dihydro-1,3-oxazol-2-amine
SMILESNC1=NC(COc2ccccc2F)CO1
InChIInChI=1S/C10H11FN2O2/c11-8-3-1-2-4-9(8)14-5-7-6-15-10(12)13-7/h1-4,7H,5-6H2,(H2,12,13)
InChIKeyHNBYEHVLEMPSTE-UHFFFAOYSA-N
XLogP0.92
TPSA56.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.21
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(2-fluorophenoxy)methyl]-4,5-dihydro-1,3-oxazol-2-amine?
The IUPAC name of 4-[(2-fluorophenoxy)methyl]-4,5-dihydro-1,3-oxazol-2-amine (CID 68713067) is 4-[(2-fluorophenoxy)methyl]-4,5-dihydro-1,3-oxazol-2-amine.
What is the SMILES notation for 4-[(2-fluorophenoxy)methyl]-4,5-dihydro-1,3-oxazol-2-amine?
The canonical SMILES for 4-[(2-fluorophenoxy)methyl]-4,5-dihydro-1,3-oxazol-2-amine is NC1=NC(COc2ccccc2F)CO1.
What is the InChIKey of 4-[(2-fluorophenoxy)methyl]-4,5-dihydro-1,3-oxazol-2-amine?
The InChIKey is HNBYEHVLEMPSTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FN2O2/c11-8-3-1-2-4-9(8)14-5-7-6-15-10(12)13-7/h1-4,7H,5-6H2,(H2,12,13).
What are the key properties of 4-[(2-fluorophenoxy)methyl]-4,5-dihydro-1,3-oxazol-2-amine?
4-[(2-fluorophenoxy)methyl]-4,5-dihydro-1,3-oxazol-2-amine has a molecular weight of 210.21 g/mol, XLogP of 0.92, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-fluorophenoxy)methyl]-4,5-dihydro-1,3-oxazol-2-amine is sourced from PubChem (CID 68713067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).