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

C10H11ClN2O2 — CID 68715792

IUPAC4-[(4-chlorophenoxy)methyl]-4,5-dihydro-1,3-oxazol-2-amine
SMILESNC1=NC(COc2ccc(Cl)cc2)CO1
InChIInChI=1S/C10H11ClN2O2/c11-7-1-3-9(4-2-7)14-5-8-6-15-10(12)13-8/h1-4,8H,5-6H2,(H2,12,13)
InChIKeyXUVSGHHMOHUUKU-UHFFFAOYSA-N
MW226.66 g/mol
LogP1.43
Rot. Bonds3

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

4-[(4-chlorophenoxy)methyl]-4,5-dihydro-1,3-oxazol-2-amine (PubChem CID 68715792) has the molecular formula C10H11ClN2O2 and a molecular weight of 226.66 g/mol. Its IUPAC name is 4-[(4-chlorophenoxy)methyl]-4,5-dihydro-1,3-oxazol-2-amine.

Molecular Properties

Compound Name4-[(4-chlorophenoxy)methyl]-4,5-dihydro-1,3-oxazol-2-amine
PubChem CID68715792
Molecular FormulaC10H11ClN2O2
Molecular Weight226.66 g/mol
Exact Mass226.05
IUPAC Name4-[(4-chlorophenoxy)methyl]-4,5-dihydro-1,3-oxazol-2-amine
SMILESNC1=NC(COc2ccc(Cl)cc2)CO1
InChIInChI=1S/C10H11ClN2O2/c11-7-1-3-9(4-2-7)14-5-8-6-15-10(12)13-8/h1-4,8H,5-6H2,(H2,12,13)
InChIKeyXUVSGHHMOHUUKU-UHFFFAOYSA-N
XLogP1.43
TPSA56.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.66
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-chlorophenoxy)methyl]-4,5-dihydro-1,3-oxazol-2-amine?
The IUPAC name of 4-[(4-chlorophenoxy)methyl]-4,5-dihydro-1,3-oxazol-2-amine (CID 68715792) is 4-[(4-chlorophenoxy)methyl]-4,5-dihydro-1,3-oxazol-2-amine.
What is the SMILES notation for 4-[(4-chlorophenoxy)methyl]-4,5-dihydro-1,3-oxazol-2-amine?
The canonical SMILES for 4-[(4-chlorophenoxy)methyl]-4,5-dihydro-1,3-oxazol-2-amine is NC1=NC(COc2ccc(Cl)cc2)CO1.
What is the InChIKey of 4-[(4-chlorophenoxy)methyl]-4,5-dihydro-1,3-oxazol-2-amine?
The InChIKey is XUVSGHHMOHUUKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN2O2/c11-7-1-3-9(4-2-7)14-5-8-6-15-10(12)13-8/h1-4,8H,5-6H2,(H2,12,13).
What are the key properties of 4-[(4-chlorophenoxy)methyl]-4,5-dihydro-1,3-oxazol-2-amine?
4-[(4-chlorophenoxy)methyl]-4,5-dihydro-1,3-oxazol-2-amine has a molecular weight of 226.66 g/mol, XLogP of 1.43, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-chlorophenoxy)methyl]-4,5-dihydro-1,3-oxazol-2-amine is sourced from PubChem (CID 68715792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).