2-[(3,4-dichlorophenoxy)methyl]-5-(2-methylphenyl)-1,3,4-oxadiazole

C16H12Cl2N2O2 — CID 110655671

IUPAC2-[(3,4-dichlorophenoxy)methyl]-5-(2-methylphenyl)-1,3,4-oxadiazole
SMILESCc1ccccc1-c1nnc(COc2ccc(Cl)c(Cl)c2)o1
InChIInChI=1S/C16H12Cl2N2O2/c1-10-4-2-3-5-12(10)16-20-19-15(22-16)9-21-11-6-7-13(17)14(18)8-11/h2-8H,9H2,1H3
InChIKeyDWNPQMXALDTGPM-UHFFFAOYSA-N
MW335.19 g/mol
LogP4.93
Rot. Bonds4

About 2-[(3,4-dichlorophenoxy)methyl]-5-(2-methylphenyl)-1,3,4-oxadiazole

2-[(3,4-dichlorophenoxy)methyl]-5-(2-methylphenyl)-1,3,4-oxadiazole (PubChem CID 110655671) has the molecular formula C16H12Cl2N2O2 and a molecular weight of 335.19 g/mol. Its IUPAC name is 2-[(3,4-dichlorophenoxy)methyl]-5-(2-methylphenyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[(3,4-dichlorophenoxy)methyl]-5-(2-methylphenyl)-1,3,4-oxadiazole
PubChem CID110655671
Molecular FormulaC16H12Cl2N2O2
Molecular Weight335.19 g/mol
Exact Mass334.03
IUPAC Name2-[(3,4-dichlorophenoxy)methyl]-5-(2-methylphenyl)-1,3,4-oxadiazole
SMILESCc1ccccc1-c1nnc(COc2ccc(Cl)c(Cl)c2)o1
InChIInChI=1S/C16H12Cl2N2O2/c1-10-4-2-3-5-12(10)16-20-19-15(22-16)9-21-11-6-7-13(17)14(18)8-11/h2-8H,9H2,1H3
InChIKeyDWNPQMXALDTGPM-UHFFFAOYSA-N
XLogP4.93
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.19
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3-chlorophenoxy)methyl]-5-(2-methylphenyl)-1,3,4-oxadiazole
CID 110655637
2-[(2,3-dichlorophenoxy)methyl]-5-(2-methylphenyl)-1,3,4-oxadiazole
CID 110655669
2-(methoxymethyl)-5-(2-methylphenyl)-1,3,4-oxadiazole
CID 53017493
3-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methoxy]-N,N-dimethylaniline
CID 110655686
4-acetamido-N-[4-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]methoxy]phenyl]benzamide
CID 50843884
3-acetamido-N-[4-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]methoxy]phenyl]benzamide
CID 50844299
2-(2-chlorophenyl)-5-[(4-ethylsulfanylphenoxy)methyl]-1,3,4-oxadiazole
CID 23660822
5-[(4-chloro-3-methylphenoxy)methyl]-3-(2-methylphenyl)-1,2,4-oxadiazole
CID 7916308
3-[(4-chloro-3-methylphenoxy)methyl]-5-(2-methylphenyl)-1,2,4-oxadiazole
CID 42692336
2-(2-bromophenyl)-5-[(3-methylphenoxy)methyl]-1,3,4-oxadiazole
CID 7894295
1-[4-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methoxy]phenyl]propan-1-one
CID 78801452
3-methyl-N-[4-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]methoxy]phenyl]thiophene-2-carboxamide
CID 50844070

Frequently Asked Questions

What is the IUPAC name of 2-[(3,4-dichlorophenoxy)methyl]-5-(2-methylphenyl)-1,3,4-oxadiazole?
The IUPAC name of 2-[(3,4-dichlorophenoxy)methyl]-5-(2-methylphenyl)-1,3,4-oxadiazole (CID 110655671) is 2-[(3,4-dichlorophenoxy)methyl]-5-(2-methylphenyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-[(3,4-dichlorophenoxy)methyl]-5-(2-methylphenyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-[(3,4-dichlorophenoxy)methyl]-5-(2-methylphenyl)-1,3,4-oxadiazole is Cc1ccccc1-c1nnc(COc2ccc(Cl)c(Cl)c2)o1.
What is the InChIKey of 2-[(3,4-dichlorophenoxy)methyl]-5-(2-methylphenyl)-1,3,4-oxadiazole?
The InChIKey is DWNPQMXALDTGPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12Cl2N2O2/c1-10-4-2-3-5-12(10)16-20-19-15(22-16)9-21-11-6-7-13(17)14(18)8-11/h2-8H,9H2,1H3.
What are the key properties of 2-[(3,4-dichlorophenoxy)methyl]-5-(2-methylphenyl)-1,3,4-oxadiazole?
2-[(3,4-dichlorophenoxy)methyl]-5-(2-methylphenyl)-1,3,4-oxadiazole has a molecular weight of 335.19 g/mol, XLogP of 4.93, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,4-dichlorophenoxy)methyl]-5-(2-methylphenyl)-1,3,4-oxadiazole is sourced from PubChem (CID 110655671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).