4-(chloromethyl)-2-(4-ethyl-2-methoxyphenoxy)-1,3-oxazole

C13H14ClNO3 — CID 107667602

IUPAC4-(chloromethyl)-2-(4-ethyl-2-methoxyphenoxy)-1,3-oxazole
SMILESCCc1ccc(Oc2nc(CCl)co2)c(OC)c1
InChIInChI=1S/C13H14ClNO3/c1-3-9-4-5-11(12(6-9)16-2)18-13-15-10(7-14)8-17-13/h4-6,8H,3,7H2,1-2H3
InChIKeyDGIIQMVQWSDKSO-UHFFFAOYSA-N
MW267.71 g/mol
LogP3.78
Rot. Bonds5

About 4-(chloromethyl)-2-(4-ethyl-2-methoxyphenoxy)-1,3-oxazole

4-(chloromethyl)-2-(4-ethyl-2-methoxyphenoxy)-1,3-oxazole (PubChem CID 107667602) has the molecular formula C13H14ClNO3 and a molecular weight of 267.71 g/mol. Its IUPAC name is 4-(chloromethyl)-2-(4-ethyl-2-methoxyphenoxy)-1,3-oxazole.

Molecular Properties

Compound Name4-(chloromethyl)-2-(4-ethyl-2-methoxyphenoxy)-1,3-oxazole
PubChem CID107667602
Molecular FormulaC13H14ClNO3
Molecular Weight267.71 g/mol
Exact Mass267.07
IUPAC Name4-(chloromethyl)-2-(4-ethyl-2-methoxyphenoxy)-1,3-oxazole
SMILESCCc1ccc(Oc2nc(CCl)co2)c(OC)c1
InChIInChI=1S/C13H14ClNO3/c1-3-9-4-5-11(12(6-9)16-2)18-13-15-10(7-14)8-17-13/h4-6,8H,3,7H2,1-2H3
InChIKeyDGIIQMVQWSDKSO-UHFFFAOYSA-N
XLogP3.78
TPSA44.49 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.71
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-(chloromethyl)-2-(4-ethyl-2-methoxyphenoxy)-1,3-difluorobenzene
CID 107666217
[6-(4-ethyl-2-methoxyphenoxy)pyrazin-2-yl]methanamine
CID 107668249
2-(4-ethyl-2-methoxyphenoxy)-6-methylpyridin-3-amine
CID 107663831
[3-chloro-4-(4-ethyl-2-methoxyphenoxy)phenyl]methanamine
CID 107663669
4-chloro-6-(4-ethyl-2-methoxyphenoxy)-2-(methoxymethyl)pyrimidine
CID 107664612
3,5-dichloro-6-(4-ethyl-2-methoxyphenoxy)-N-methylpyridin-2-amine
CID 107669668
[2-(4-ethyl-2-methoxyphenoxy)-6-methyl-4-pyridinyl]methanamine
CID 107663652
4-bromo-2-ethyl-6-(4-ethyl-2-methoxyphenoxy)pyrimidine
CID 107664625
[4-chloro-2-(4-ethyl-2-methoxyphenoxy)phenyl]methanamine
CID 107663676
1-[6-(4-ethyl-2-methoxyphenoxy)-2-methyl-3-pyridinyl]-N-methylmethanamine
CID 107668273
3-bromo-5-chloro-2-(4-ethyl-2-methoxyphenoxy)pyridine
CID 107667632
4-(chloromethyl)-2-[(3,4-dimethoxyphenyl)methyl]-1,3-thiazole
CID 60863894

Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-2-(4-ethyl-2-methoxyphenoxy)-1,3-oxazole?
The IUPAC name of 4-(chloromethyl)-2-(4-ethyl-2-methoxyphenoxy)-1,3-oxazole (CID 107667602) is 4-(chloromethyl)-2-(4-ethyl-2-methoxyphenoxy)-1,3-oxazole.
What is the SMILES notation for 4-(chloromethyl)-2-(4-ethyl-2-methoxyphenoxy)-1,3-oxazole?
The canonical SMILES for 4-(chloromethyl)-2-(4-ethyl-2-methoxyphenoxy)-1,3-oxazole is CCc1ccc(Oc2nc(CCl)co2)c(OC)c1.
What is the InChIKey of 4-(chloromethyl)-2-(4-ethyl-2-methoxyphenoxy)-1,3-oxazole?
The InChIKey is DGIIQMVQWSDKSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClNO3/c1-3-9-4-5-11(12(6-9)16-2)18-13-15-10(7-14)8-17-13/h4-6,8H,3,7H2,1-2H3.
What are the key properties of 4-(chloromethyl)-2-(4-ethyl-2-methoxyphenoxy)-1,3-oxazole?
4-(chloromethyl)-2-(4-ethyl-2-methoxyphenoxy)-1,3-oxazole has a molecular weight of 267.71 g/mol, XLogP of 3.78, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-2-(4-ethyl-2-methoxyphenoxy)-1,3-oxazole is sourced from PubChem (CID 107667602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).