4-(chloromethyl)-5-(2,6-dimethoxyphenyl)-1,3-oxazole

C12H12ClNO3 — CID 79154684

IUPAC4-(chloromethyl)-5-(2,6-dimethoxyphenyl)-1,3-oxazole
SMILESCOc1cccc(OC)c1-c1ocnc1CCl
InChIInChI=1S/C12H12ClNO3/c1-15-9-4-3-5-10(16-2)11(9)12-8(6-13)14-7-17-12/h3-5,7H,6H2,1-2H3
InChIKeyFURHICJSRKBGDB-UHFFFAOYSA-N
MW253.69 g/mol
LogP3.10
Rot. Bonds4

About 4-(chloromethyl)-5-(2,6-dimethoxyphenyl)-1,3-oxazole

4-(chloromethyl)-5-(2,6-dimethoxyphenyl)-1,3-oxazole (PubChem CID 79154684) has the molecular formula C12H12ClNO3 and a molecular weight of 253.69 g/mol. Its IUPAC name is 4-(chloromethyl)-5-(2,6-dimethoxyphenyl)-1,3-oxazole.

Molecular Properties

Compound Name4-(chloromethyl)-5-(2,6-dimethoxyphenyl)-1,3-oxazole
PubChem CID79154684
Molecular FormulaC12H12ClNO3
Molecular Weight253.69 g/mol
Exact Mass253.05
IUPAC Name4-(chloromethyl)-5-(2,6-dimethoxyphenyl)-1,3-oxazole
SMILESCOc1cccc(OC)c1-c1ocnc1CCl
InChIInChI=1S/C12H12ClNO3/c1-15-9-4-3-5-10(16-2)11(9)12-8(6-13)14-7-17-12/h3-5,7H,6H2,1-2H3
InChIKeyFURHICJSRKBGDB-UHFFFAOYSA-N
XLogP3.10
TPSA44.49 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.69
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-(chloromethyl)-5-(2,6-dimethoxyphenyl)-1,3-oxazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(chloromethyl)-5-(3-chlorophenyl)-1,3-oxazole
CID 79154021
4-(chloromethyl)-5-(2-chlorophenyl)-1,3-oxazole
CID 79153122
5-(4-butoxyphenyl)-4-(chloromethyl)-1,3-oxazole
CID 79153679
N-[[5-(2-methoxyphenyl)-1,3-oxazol-4-yl]methyl]-2-methylpropan-1-amine
CID 79144744
N-[[5-(2,3-dimethoxyphenyl)-1,3-oxazol-4-yl]methyl]cyclopropanamine
CID 79146136
1-(chloromethoxy)-2-methoxybenzene
CID 12696124
N-[[5-(2-methoxyphenyl)-1,3-oxazol-4-yl]methyl]cyclopropanamine
CID 79145568
4-(chloromethyl)-5-(1-methylindazol-3-yl)-1,3-oxazole
CID 103123679
4-(chloromethyl)-2-(2-fluoro-6-methoxyphenyl)-1,3-oxazole
CID 65431930
bis(dichloromethane);1,4,5,8,9,12,13,16-octamethoxytetraphenylene
CID 139040001
2-(chloromethyl)-3,4-dimethoxypyridine
CID 5079722
5-(2,6-dimethoxyphenyl)-2H-tetrazole
CID 10726952

Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-5-(2,6-dimethoxyphenyl)-1,3-oxazole?
The IUPAC name of 4-(chloromethyl)-5-(2,6-dimethoxyphenyl)-1,3-oxazole (CID 79154684) is 4-(chloromethyl)-5-(2,6-dimethoxyphenyl)-1,3-oxazole.
What is the SMILES notation for 4-(chloromethyl)-5-(2,6-dimethoxyphenyl)-1,3-oxazole?
The canonical SMILES for 4-(chloromethyl)-5-(2,6-dimethoxyphenyl)-1,3-oxazole is COc1cccc(OC)c1-c1ocnc1CCl.
What is the InChIKey of 4-(chloromethyl)-5-(2,6-dimethoxyphenyl)-1,3-oxazole?
The InChIKey is FURHICJSRKBGDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClNO3/c1-15-9-4-3-5-10(16-2)11(9)12-8(6-13)14-7-17-12/h3-5,7H,6H2,1-2H3.
What are the key properties of 4-(chloromethyl)-5-(2,6-dimethoxyphenyl)-1,3-oxazole?
4-(chloromethyl)-5-(2,6-dimethoxyphenyl)-1,3-oxazole has a molecular weight of 253.69 g/mol, XLogP of 3.10, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-5-(2,6-dimethoxyphenyl)-1,3-oxazole is sourced from PubChem (CID 79154684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).