2-(chloromethyl)-5-(2,4-dimethoxyphenyl)-1,3,4-oxadiazole

C11H11ClN2O3 — CID 18070785

IUPAC2-(chloromethyl)-5-(2,4-dimethoxyphenyl)-1,3,4-oxadiazole
SMILESCOc1ccc(-c2nnc(CCl)o2)c(OC)c1
InChIInChI=1S/C11H11ClN2O3/c1-15-7-3-4-8(9(5-7)16-2)11-14-13-10(6-12)17-11/h3-5H,6H2,1-2H3
InChIKeyMVVVNVYBSIDTNS-UHFFFAOYSA-N
MW254.67 g/mol
LogP2.49
Rot. Bonds4

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

2-(chloromethyl)-5-(2,4-dimethoxyphenyl)-1,3,4-oxadiazole (PubChem CID 18070785) has the molecular formula C11H11ClN2O3 and a molecular weight of 254.67 g/mol. Its IUPAC name is 2-(chloromethyl)-5-(2,4-dimethoxyphenyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(chloromethyl)-5-(2,4-dimethoxyphenyl)-1,3,4-oxadiazole
PubChem CID18070785
Molecular FormulaC11H11ClN2O3
Molecular Weight254.67 g/mol
Exact Mass254.05
IUPAC Name2-(chloromethyl)-5-(2,4-dimethoxyphenyl)-1,3,4-oxadiazole
SMILESCOc1ccc(-c2nnc(CCl)o2)c(OC)c1
InChIInChI=1S/C11H11ClN2O3/c1-15-7-3-4-8(9(5-7)16-2)11-14-13-10(6-12)17-11/h3-5H,6H2,1-2H3
InChIKeyMVVVNVYBSIDTNS-UHFFFAOYSA-N
XLogP2.49
TPSA57.38 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.67
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[[5-(2,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]propan-1-amine
CID 62137383
2-(3-chloropropyl)-5-(2,5-dimethoxyphenyl)-1,3,4-oxadiazole
CID 39382548
2-(1-bromopropyl)-5-(2,4-dimethoxyphenyl)-1,3,4-oxadiazole
CID 62856513
1-[5-(2,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-N-methylmethanamine
CID 62138105
2-[[5-(2,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetonitrile
CID 7534211
2-(chloromethyl)-5-(4-fluoro-3-methoxyphenyl)-1,3,4-oxadiazole
CID 81283796
2-[5-(4-bromo-2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-N-methylethanamine
CID 113296187
N-[[5-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-(2,4-dimethoxyphenyl)-N-methylmethanamine
CID 47521064
2-(2,4-dimethoxyphenyl)-5-[(4,5-dimethyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3,4-oxadiazole
CID 47073144
2-(chloromethyl)-5-(4-methoxythiophen-2-yl)-1,3,4-oxadiazole
CID 81127130
N-[[5-(2,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-methylpropan-2-amine
CID 62138524
3-methoxy-4-(5-propyl-1,3,4-oxadiazol-2-yl)aniline
CID 113452620

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-5-(2,4-dimethoxyphenyl)-1,3,4-oxadiazole?
The IUPAC name of 2-(chloromethyl)-5-(2,4-dimethoxyphenyl)-1,3,4-oxadiazole (CID 18070785) is 2-(chloromethyl)-5-(2,4-dimethoxyphenyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-(chloromethyl)-5-(2,4-dimethoxyphenyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-(chloromethyl)-5-(2,4-dimethoxyphenyl)-1,3,4-oxadiazole is COc1ccc(-c2nnc(CCl)o2)c(OC)c1.
What is the InChIKey of 2-(chloromethyl)-5-(2,4-dimethoxyphenyl)-1,3,4-oxadiazole?
The InChIKey is MVVVNVYBSIDTNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN2O3/c1-15-7-3-4-8(9(5-7)16-2)11-14-13-10(6-12)17-11/h3-5H,6H2,1-2H3.
What are the key properties of 2-(chloromethyl)-5-(2,4-dimethoxyphenyl)-1,3,4-oxadiazole?
2-(chloromethyl)-5-(2,4-dimethoxyphenyl)-1,3,4-oxadiazole has a molecular weight of 254.67 g/mol, XLogP of 2.49, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-5-(2,4-dimethoxyphenyl)-1,3,4-oxadiazole is sourced from PubChem (CID 18070785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).