4-(chloromethyl)-2-(4-ethoxyphenyl)-1,3-oxazole

C12H12ClNO2 — CID 56658623

IUPAC4-(chloromethyl)-2-(4-ethoxyphenyl)-1,3-oxazole
SMILESCCOc1ccc(-c2nc(CCl)co2)cc1
InChIInChI=1S/C12H12ClNO2/c1-2-15-11-5-3-9(4-6-11)12-14-10(7-13)8-16-12/h3-6,8H,2,7H2,1H3
InChIKeyGYMFXJDUERCVIF-UHFFFAOYSA-N
MW237.69 g/mol
LogP3.48
Rot. Bonds4

About 4-(chloromethyl)-2-(4-ethoxyphenyl)-1,3-oxazole

4-(chloromethyl)-2-(4-ethoxyphenyl)-1,3-oxazole (PubChem CID 56658623) has the molecular formula C12H12ClNO2 and a molecular weight of 237.69 g/mol. Its IUPAC name is 4-(chloromethyl)-2-(4-ethoxyphenyl)-1,3-oxazole.

Molecular Properties

Compound Name4-(chloromethyl)-2-(4-ethoxyphenyl)-1,3-oxazole
PubChem CID56658623
Molecular FormulaC12H12ClNO2
Molecular Weight237.69 g/mol
Exact Mass237.06
IUPAC Name4-(chloromethyl)-2-(4-ethoxyphenyl)-1,3-oxazole
SMILESCCOc1ccc(-c2nc(CCl)co2)cc1
InChIInChI=1S/C12H12ClNO2/c1-2-15-11-5-3-9(4-6-11)12-14-10(7-13)8-16-12/h3-6,8H,2,7H2,1H3
InChIKeyGYMFXJDUERCVIF-UHFFFAOYSA-N
XLogP3.48
TPSA35.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.69
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 4-(chloromethyl)-2-(4-ethoxyphenyl)-1,3-oxazole?
The IUPAC name of 4-(chloromethyl)-2-(4-ethoxyphenyl)-1,3-oxazole (CID 56658623) is 4-(chloromethyl)-2-(4-ethoxyphenyl)-1,3-oxazole.
What is the SMILES notation for 4-(chloromethyl)-2-(4-ethoxyphenyl)-1,3-oxazole?
The canonical SMILES for 4-(chloromethyl)-2-(4-ethoxyphenyl)-1,3-oxazole is CCOc1ccc(-c2nc(CCl)co2)cc1.
What is the InChIKey of 4-(chloromethyl)-2-(4-ethoxyphenyl)-1,3-oxazole?
The InChIKey is GYMFXJDUERCVIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClNO2/c1-2-15-11-5-3-9(4-6-11)12-14-10(7-13)8-16-12/h3-6,8H,2,7H2,1H3.
What are the key properties of 4-(chloromethyl)-2-(4-ethoxyphenyl)-1,3-oxazole?
4-(chloromethyl)-2-(4-ethoxyphenyl)-1,3-oxazole has a molecular weight of 237.69 g/mol, XLogP of 3.48, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-2-(4-ethoxyphenyl)-1,3-oxazole is sourced from PubChem (CID 56658623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).