3-(chloromethyl)-5-[(5-ethyl-1,2-oxazol-3-yl)methoxymethyl]-1,2-oxazole

C11H13ClN2O3 — CID 130445855

IUPAC3-(chloromethyl)-5-[(5-ethyl-1,2-oxazol-3-yl)methoxymethyl]-1,2-oxazole
SMILESCCc1cc(COCc2cc(CCl)no2)no1
InChIInChI=1S/C11H13ClN2O3/c1-2-10-4-9(14-16-10)6-15-7-11-3-8(5-12)13-17-11/h3-4H,2,5-7H2,1H3
InChIKeyIKSCOFHNEUDNJU-UHFFFAOYSA-N
MW256.69 g/mol
LogP2.68
Rot. Bonds6

About 3-(chloromethyl)-5-[(5-ethyl-1,2-oxazol-3-yl)methoxymethyl]-1,2-oxazole

3-(chloromethyl)-5-[(5-ethyl-1,2-oxazol-3-yl)methoxymethyl]-1,2-oxazole (PubChem CID 130445855) has the molecular formula C11H13ClN2O3 and a molecular weight of 256.69 g/mol. Its IUPAC name is 3-(chloromethyl)-5-[(5-ethyl-1,2-oxazol-3-yl)methoxymethyl]-1,2-oxazole.

Molecular Properties

Compound Name3-(chloromethyl)-5-[(5-ethyl-1,2-oxazol-3-yl)methoxymethyl]-1,2-oxazole
PubChem CID130445855
Molecular FormulaC11H13ClN2O3
Molecular Weight256.69 g/mol
Exact Mass256.06
IUPAC Name3-(chloromethyl)-5-[(5-ethyl-1,2-oxazol-3-yl)methoxymethyl]-1,2-oxazole
SMILESCCc1cc(COCc2cc(CCl)no2)no1
InChIInChI=1S/C11H13ClN2O3/c1-2-10-4-9(14-16-10)6-15-7-11-3-8(5-12)13-17-11/h3-4H,2,5-7H2,1H3
InChIKeyIKSCOFHNEUDNJU-UHFFFAOYSA-N
XLogP2.68
TPSA61.29 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.69
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(chloromethyl)-5-[(5-ethyl-1,2-oxazol-3-yl)methoxymethyl]-1,2-oxazole?
The IUPAC name of 3-(chloromethyl)-5-[(5-ethyl-1,2-oxazol-3-yl)methoxymethyl]-1,2-oxazole (CID 130445855) is 3-(chloromethyl)-5-[(5-ethyl-1,2-oxazol-3-yl)methoxymethyl]-1,2-oxazole.
What is the SMILES notation for 3-(chloromethyl)-5-[(5-ethyl-1,2-oxazol-3-yl)methoxymethyl]-1,2-oxazole?
The canonical SMILES for 3-(chloromethyl)-5-[(5-ethyl-1,2-oxazol-3-yl)methoxymethyl]-1,2-oxazole is CCc1cc(COCc2cc(CCl)no2)no1.
What is the InChIKey of 3-(chloromethyl)-5-[(5-ethyl-1,2-oxazol-3-yl)methoxymethyl]-1,2-oxazole?
The InChIKey is IKSCOFHNEUDNJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN2O3/c1-2-10-4-9(14-16-10)6-15-7-11-3-8(5-12)13-17-11/h3-4H,2,5-7H2,1H3.
What are the key properties of 3-(chloromethyl)-5-[(5-ethyl-1,2-oxazol-3-yl)methoxymethyl]-1,2-oxazole?
3-(chloromethyl)-5-[(5-ethyl-1,2-oxazol-3-yl)methoxymethyl]-1,2-oxazole has a molecular weight of 256.69 g/mol, XLogP of 2.68, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(chloromethyl)-5-[(5-ethyl-1,2-oxazol-3-yl)methoxymethyl]-1,2-oxazole is sourced from PubChem (CID 130445855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).