4-[(2,6-dichlorophenyl)-methoxymethyl]-4,5-dihydro-1,3-oxazol-2-amine

C11H12Cl2N2O2 — CID 67934009

IUPAC4-[(2,6-dichlorophenyl)-methoxymethyl]-4,5-dihydro-1,3-oxazol-2-amine
SMILESCOC(c1c(Cl)cccc1Cl)C1COC(N)=N1
InChIInChI=1S/C11H12Cl2N2O2/c1-16-10(8-5-17-11(14)15-8)9-6(12)3-2-4-7(9)13/h2-4,8,10H,5H2,1H3,(H2,14,15)
InChIKeyQBYVRHIQWQBTOD-UHFFFAOYSA-N
MW275.13 g/mol
LogP2.39
Rot. Bonds3

About 4-[(2,6-dichlorophenyl)-methoxymethyl]-4,5-dihydro-1,3-oxazol-2-amine

4-[(2,6-dichlorophenyl)-methoxymethyl]-4,5-dihydro-1,3-oxazol-2-amine (PubChem CID 67934009) has the molecular formula C11H12Cl2N2O2 and a molecular weight of 275.13 g/mol. Its IUPAC name is 4-[(2,6-dichlorophenyl)-methoxymethyl]-4,5-dihydro-1,3-oxazol-2-amine.

Molecular Properties

Compound Name4-[(2,6-dichlorophenyl)-methoxymethyl]-4,5-dihydro-1,3-oxazol-2-amine
PubChem CID67934009
Molecular FormulaC11H12Cl2N2O2
Molecular Weight275.13 g/mol
Exact Mass274.03
IUPAC Name4-[(2,6-dichlorophenyl)-methoxymethyl]-4,5-dihydro-1,3-oxazol-2-amine
SMILESCOC(c1c(Cl)cccc1Cl)C1COC(N)=N1
InChIInChI=1S/C11H12Cl2N2O2/c1-16-10(8-5-17-11(14)15-8)9-6(12)3-2-4-7(9)13/h2-4,8,10H,5H2,1H3,(H2,14,15)
InChIKeyQBYVRHIQWQBTOD-UHFFFAOYSA-N
XLogP2.39
TPSA56.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.13
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(2,6-dichlorophenyl)-methoxymethyl]-4,5-dihydro-1,3-oxazol-2-amine?
The IUPAC name of 4-[(2,6-dichlorophenyl)-methoxymethyl]-4,5-dihydro-1,3-oxazol-2-amine (CID 67934009) is 4-[(2,6-dichlorophenyl)-methoxymethyl]-4,5-dihydro-1,3-oxazol-2-amine.
What is the SMILES notation for 4-[(2,6-dichlorophenyl)-methoxymethyl]-4,5-dihydro-1,3-oxazol-2-amine?
The canonical SMILES for 4-[(2,6-dichlorophenyl)-methoxymethyl]-4,5-dihydro-1,3-oxazol-2-amine is COC(c1c(Cl)cccc1Cl)C1COC(N)=N1.
What is the InChIKey of 4-[(2,6-dichlorophenyl)-methoxymethyl]-4,5-dihydro-1,3-oxazol-2-amine?
The InChIKey is QBYVRHIQWQBTOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12Cl2N2O2/c1-16-10(8-5-17-11(14)15-8)9-6(12)3-2-4-7(9)13/h2-4,8,10H,5H2,1H3,(H2,14,15).
What are the key properties of 4-[(2,6-dichlorophenyl)-methoxymethyl]-4,5-dihydro-1,3-oxazol-2-amine?
4-[(2,6-dichlorophenyl)-methoxymethyl]-4,5-dihydro-1,3-oxazol-2-amine has a molecular weight of 275.13 g/mol, XLogP of 2.39, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,6-dichlorophenyl)-methoxymethyl]-4,5-dihydro-1,3-oxazol-2-amine is sourced from PubChem (CID 67934009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).