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

C16H12Cl2N2O2 — CID 110655669

IUPAC2-[(2,3-dichlorophenoxy)methyl]-5-(2-methylphenyl)-1,3,4-oxadiazole
SMILESCc1ccccc1-c1nnc(COc2cccc(Cl)c2Cl)o1
InChIInChI=1S/C16H12Cl2N2O2/c1-10-5-2-3-6-11(10)16-20-19-14(22-16)9-21-13-8-4-7-12(17)15(13)18/h2-8H,9H2,1H3
InChIKeySLCBMEYTYDZFFS-UHFFFAOYSA-N
MW335.19 g/mol
LogP4.93
Rot. Bonds4

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

2-[(2,3-dichlorophenoxy)methyl]-5-(2-methylphenyl)-1,3,4-oxadiazole (PubChem CID 110655669) has the molecular formula C16H12Cl2N2O2 and a molecular weight of 335.19 g/mol. Its IUPAC name is 2-[(2,3-dichlorophenoxy)methyl]-5-(2-methylphenyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[(2,3-dichlorophenoxy)methyl]-5-(2-methylphenyl)-1,3,4-oxadiazole
PubChem CID110655669
Molecular FormulaC16H12Cl2N2O2
Molecular Weight335.19 g/mol
Exact Mass334.03
IUPAC Name2-[(2,3-dichlorophenoxy)methyl]-5-(2-methylphenyl)-1,3,4-oxadiazole
SMILESCc1ccccc1-c1nnc(COc2cccc(Cl)c2Cl)o1
InChIInChI=1S/C16H12Cl2N2O2/c1-10-5-2-3-6-11(10)16-20-19-14(22-16)9-21-13-8-4-7-12(17)15(13)18/h2-8H,9H2,1H3
InChIKeySLCBMEYTYDZFFS-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-[(2,3-dichlorophenoxy)methyl]-5-phenyl-1,3,4-oxadiazole
CID 17404310
2-[(2,3-dichlorophenoxy)methyl]-5-(3-methylphenyl)-1,3,4-oxadiazole
CID 110655632
2-[(3,4-dichlorophenoxy)methyl]-5-(2-methylphenyl)-1,3,4-oxadiazole
CID 110655671
2-[(3-chlorophenoxy)methyl]-5-(2-methylphenyl)-1,3,4-oxadiazole
CID 110655637
2-(methoxymethyl)-5-(2-methylphenyl)-1,3,4-oxadiazole
CID 53017493
2-benzyl-5-[(2,3-dichlorophenoxy)methyl]-1,3,4-oxadiazole
CID 110655983
5-[(2,3-dichlorophenoxy)methyl]-3-methyl-1,2,4-oxadiazole
CID 134038171
2-[(2,6-dichlorophenyl)methylsulfanyl]-5-[(2-methylphenoxy)methyl]-1,3,4-oxadiazole
CID 19060518
3-chloro-4-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methoxy]benzonitrile
CID 78814942
2-tert-butyl-4-chloro-5-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methoxy]pyridazin-3-one
CID 11406775
2-[5-[(2,4-dichlorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]phenol
CID 712393
3-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methoxy]-N,N-dimethylaniline
CID 110655686

Frequently Asked Questions

What is the IUPAC name of 2-[(2,3-dichlorophenoxy)methyl]-5-(2-methylphenyl)-1,3,4-oxadiazole?
The IUPAC name of 2-[(2,3-dichlorophenoxy)methyl]-5-(2-methylphenyl)-1,3,4-oxadiazole (CID 110655669) is 2-[(2,3-dichlorophenoxy)methyl]-5-(2-methylphenyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-[(2,3-dichlorophenoxy)methyl]-5-(2-methylphenyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-[(2,3-dichlorophenoxy)methyl]-5-(2-methylphenyl)-1,3,4-oxadiazole is Cc1ccccc1-c1nnc(COc2cccc(Cl)c2Cl)o1.
What is the InChIKey of 2-[(2,3-dichlorophenoxy)methyl]-5-(2-methylphenyl)-1,3,4-oxadiazole?
The InChIKey is SLCBMEYTYDZFFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12Cl2N2O2/c1-10-5-2-3-6-11(10)16-20-19-14(22-16)9-21-13-8-4-7-12(17)15(13)18/h2-8H,9H2,1H3.
What are the key properties of 2-[(2,3-dichlorophenoxy)methyl]-5-(2-methylphenyl)-1,3,4-oxadiazole?
2-[(2,3-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-[(2,3-dichlorophenoxy)methyl]-5-(2-methylphenyl)-1,3,4-oxadiazole is sourced from PubChem (CID 110655669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).