3-[(3-chloro-4-fluorophenoxy)methyl]-4,5-dihydro-1,2-oxazole

C10H9ClFNO2 — CID 138047646

IUPAC3-[(3-chloro-4-fluorophenoxy)methyl]-4,5-dihydro-1,2-oxazole
SMILESFc1ccc(OCC2=NOCC2)cc1Cl
InChIInChI=1S/C10H9ClFNO2/c11-9-5-8(1-2-10(9)12)14-6-7-3-4-15-13-7/h1-2,5H,3-4,6H2
InChIKeyGLSZJAMNFCUGOT-UHFFFAOYSA-N
MW229.64 g/mol
LogP2.63
Rot. Bonds3

About 3-[(3-chloro-4-fluorophenoxy)methyl]-4,5-dihydro-1,2-oxazole

3-[(3-chloro-4-fluorophenoxy)methyl]-4,5-dihydro-1,2-oxazole (PubChem CID 138047646) has the molecular formula C10H9ClFNO2 and a molecular weight of 229.64 g/mol. Its IUPAC name is 3-[(3-chloro-4-fluorophenoxy)methyl]-4,5-dihydro-1,2-oxazole.

Molecular Properties

Compound Name3-[(3-chloro-4-fluorophenoxy)methyl]-4,5-dihydro-1,2-oxazole
PubChem CID138047646
Molecular FormulaC10H9ClFNO2
Molecular Weight229.64 g/mol
Exact Mass229.03
IUPAC Name3-[(3-chloro-4-fluorophenoxy)methyl]-4,5-dihydro-1,2-oxazole
SMILESFc1ccc(OCC2=NOCC2)cc1Cl
InChIInChI=1S/C10H9ClFNO2/c11-9-5-8(1-2-10(9)12)14-6-7-3-4-15-13-7/h1-2,5H,3-4,6H2
InChIKeyGLSZJAMNFCUGOT-UHFFFAOYSA-N
XLogP2.63
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.64
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(3-chloro-4-fluorophenoxy)methyl]-4,5-dihydro-1,2-oxazole?
The IUPAC name of 3-[(3-chloro-4-fluorophenoxy)methyl]-4,5-dihydro-1,2-oxazole (CID 138047646) is 3-[(3-chloro-4-fluorophenoxy)methyl]-4,5-dihydro-1,2-oxazole.
What is the SMILES notation for 3-[(3-chloro-4-fluorophenoxy)methyl]-4,5-dihydro-1,2-oxazole?
The canonical SMILES for 3-[(3-chloro-4-fluorophenoxy)methyl]-4,5-dihydro-1,2-oxazole is Fc1ccc(OCC2=NOCC2)cc1Cl.
What is the InChIKey of 3-[(3-chloro-4-fluorophenoxy)methyl]-4,5-dihydro-1,2-oxazole?
The InChIKey is GLSZJAMNFCUGOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClFNO2/c11-9-5-8(1-2-10(9)12)14-6-7-3-4-15-13-7/h1-2,5H,3-4,6H2.
What are the key properties of 3-[(3-chloro-4-fluorophenoxy)methyl]-4,5-dihydro-1,2-oxazole?
3-[(3-chloro-4-fluorophenoxy)methyl]-4,5-dihydro-1,2-oxazole has a molecular weight of 229.64 g/mol, XLogP of 2.63, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-chloro-4-fluorophenoxy)methyl]-4,5-dihydro-1,2-oxazole is sourced from PubChem (CID 138047646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).