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

C12H12ClNO3 — CID 43144202

IUPAC2-(chloromethyl)-5-(2,5-dimethoxyphenyl)-1,3-oxazole
SMILESCOc1ccc(OC)c(-c2cnc(CCl)o2)c1
InChIInChI=1S/C12H12ClNO3/c1-15-8-3-4-10(16-2)9(5-8)11-7-14-12(6-13)17-11/h3-5,7H,6H2,1-2H3
InChIKeyMHVPCEMFOSNQAY-UHFFFAOYSA-N
MW253.69 g/mol
LogP3.10
Rot. Bonds4

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

2-(chloromethyl)-5-(2,5-dimethoxyphenyl)-1,3-oxazole (PubChem CID 43144202) has the molecular formula C12H12ClNO3 and a molecular weight of 253.69 g/mol. Its IUPAC name is 2-(chloromethyl)-5-(2,5-dimethoxyphenyl)-1,3-oxazole.

Molecular Properties

Compound Name2-(chloromethyl)-5-(2,5-dimethoxyphenyl)-1,3-oxazole
PubChem CID43144202
Molecular FormulaC12H12ClNO3
Molecular Weight253.69 g/mol
Exact Mass253.05
IUPAC Name2-(chloromethyl)-5-(2,5-dimethoxyphenyl)-1,3-oxazole
SMILESCOc1ccc(OC)c(-c2cnc(CCl)o2)c1
InChIInChI=1S/C12H12ClNO3/c1-15-8-3-4-10(16-2)9(5-8)11-7-14-12(6-13)17-11/h3-5,7H,6H2,1-2H3
InChIKeyMHVPCEMFOSNQAY-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'}

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Related Compounds

5-(3-bromo-4-methoxyphenyl)-2-(chloromethyl)-1,3-oxazole
CID 65179454
[5-(2-bromo-5-methoxyphenyl)-1,3-oxazol-2-yl]methanamine
CID 65179787
2-(2,3-dimethoxyphenyl)-5-(2,5-dimethoxyphenyl)-1,3-oxazole
CID 164621273
[5-(4-methoxy-2-methylphenyl)-1,3-oxazol-2-yl]methanamine
CID 82360064
2-(3-chloropropyl)-5-(2-methoxyphenyl)-1,3-oxazole
CID 65180005
N-[[5-(5-chloro-2-methoxyphenyl)-1,3-oxazol-2-yl]methyl]propan-2-amine
CID 65184147
2-(3-chloropropyl)-5-(2,5-dimethoxyphenyl)-1,3,4-oxadiazole
CID 39382548
2-[5-(2-bromo-5-methoxyphenyl)-1,3-oxazol-2-yl]ethanamine
CID 65179079
2-[5-(2-bromo-5-methoxyphenyl)-1,3-oxazol-2-yl]-N-methylethanamine
CID 65182889
[5-(2,4,5-trimethoxyphenyl)-1,3-oxazol-2-yl]methanamine
CID 65179670
3-[5-(5-bromo-2-methoxyphenyl)-1,3-oxazol-2-yl]propan-1-amine
CID 112742085
2-(chloromethyl)-5-(2,4-dimethoxyphenyl)-1,3,4-oxadiazole
CID 18070785

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-5-(2,5-dimethoxyphenyl)-1,3-oxazole?
The IUPAC name of 2-(chloromethyl)-5-(2,5-dimethoxyphenyl)-1,3-oxazole (CID 43144202) is 2-(chloromethyl)-5-(2,5-dimethoxyphenyl)-1,3-oxazole.
What is the SMILES notation for 2-(chloromethyl)-5-(2,5-dimethoxyphenyl)-1,3-oxazole?
The canonical SMILES for 2-(chloromethyl)-5-(2,5-dimethoxyphenyl)-1,3-oxazole is COc1ccc(OC)c(-c2cnc(CCl)o2)c1.
What is the InChIKey of 2-(chloromethyl)-5-(2,5-dimethoxyphenyl)-1,3-oxazole?
The InChIKey is MHVPCEMFOSNQAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClNO3/c1-15-8-3-4-10(16-2)9(5-8)11-7-14-12(6-13)17-11/h3-5,7H,6H2,1-2H3.
What are the key properties of 2-(chloromethyl)-5-(2,5-dimethoxyphenyl)-1,3-oxazole?
2-(chloromethyl)-5-(2,5-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 2-(chloromethyl)-5-(2,5-dimethoxyphenyl)-1,3-oxazole is sourced from PubChem (CID 43144202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).