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

C15H10Cl2N2O2 — CID 17404310

IUPAC2-[(2,3-dichlorophenoxy)methyl]-5-phenyl-1,3,4-oxadiazole
SMILESClc1cccc(OCc2nnc(-c3ccccc3)o2)c1Cl
InChIInChI=1S/C15H10Cl2N2O2/c16-11-7-4-8-12(14(11)17)20-9-13-18-19-15(21-13)10-5-2-1-3-6-10/h1-8H,9H2
InChIKeyFNDQWMSEHPZFHC-UHFFFAOYSA-N
MW321.16 g/mol
LogP4.62
Rot. Bonds4

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

2-[(2,3-dichlorophenoxy)methyl]-5-phenyl-1,3,4-oxadiazole (PubChem CID 17404310) has the molecular formula C15H10Cl2N2O2 and a molecular weight of 321.16 g/mol. Its IUPAC name is 2-[(2,3-dichlorophenoxy)methyl]-5-phenyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[(2,3-dichlorophenoxy)methyl]-5-phenyl-1,3,4-oxadiazole
PubChem CID17404310
Molecular FormulaC15H10Cl2N2O2
Molecular Weight321.16 g/mol
Exact Mass320.01
IUPAC Name2-[(2,3-dichlorophenoxy)methyl]-5-phenyl-1,3,4-oxadiazole
SMILESClc1cccc(OCc2nnc(-c3ccccc3)o2)c1Cl
InChIInChI=1S/C15H10Cl2N2O2/c16-11-7-4-8-12(14(11)17)20-9-13-18-19-15(21-13)10-5-2-1-3-6-10/h1-8H,9H2
InChIKeyFNDQWMSEHPZFHC-UHFFFAOYSA-N
XLogP4.62
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.16
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2,3-dichlorophenoxy)methyl]-5-(3-methylphenyl)-1,3,4-oxadiazole
CID 110655632
2-[(2,3-dichlorophenoxy)methyl]-5-(2-methylphenyl)-1,3,4-oxadiazole
CID 110655669
2-benzyl-5-[(2,3-dichlorophenoxy)methyl]-1,3,4-oxadiazole
CID 110655983
2-[(5-phenyl-1,3,4-oxadiazol-2-yl)methoxy]benzonitrile
CID 2714605
2-[(2-tert-butylphenoxy)methyl]-5-phenyl-1,3,4-oxadiazole
CID 110655564
5-[(2,3-dichlorophenoxy)methyl]-3-phenyl-1,2,4-oxadiazole
CID 7611454
2-[(2-bromo-4-methylphenoxy)methyl]-5-phenyl-1,3,4-oxadiazole
CID 16583524
2-(5-bromofuran-2-yl)-5-[(2-chlorophenoxy)methyl]-1,3,4-oxadiazole
CID 26218065
2-[(4-bromophenoxy)methyl]-5-phenyl-1,3,4-oxadiazole
CID 18859382
2-[(2-bromophenoxy)methyl]-5-(3-methoxyphenyl)-1,3,4-oxadiazole
CID 110655809
2-[(5-phenyl-1,3,4-oxadiazol-2-yl)methoxy]naphthalene-1-carbaldehyde
CID 27919131
2-(4-bromophenyl)-5-(quinolin-8-yloxymethyl)-1,3,4-oxadiazole
CID 9320315

Frequently Asked Questions

What is the IUPAC name of 2-[(2,3-dichlorophenoxy)methyl]-5-phenyl-1,3,4-oxadiazole?
The IUPAC name of 2-[(2,3-dichlorophenoxy)methyl]-5-phenyl-1,3,4-oxadiazole (CID 17404310) is 2-[(2,3-dichlorophenoxy)methyl]-5-phenyl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[(2,3-dichlorophenoxy)methyl]-5-phenyl-1,3,4-oxadiazole?
The canonical SMILES for 2-[(2,3-dichlorophenoxy)methyl]-5-phenyl-1,3,4-oxadiazole is Clc1cccc(OCc2nnc(-c3ccccc3)o2)c1Cl.
What is the InChIKey of 2-[(2,3-dichlorophenoxy)methyl]-5-phenyl-1,3,4-oxadiazole?
The InChIKey is FNDQWMSEHPZFHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Cl2N2O2/c16-11-7-4-8-12(14(11)17)20-9-13-18-19-15(21-13)10-5-2-1-3-6-10/h1-8H,9H2.
What are the key properties of 2-[(2,3-dichlorophenoxy)methyl]-5-phenyl-1,3,4-oxadiazole?
2-[(2,3-dichlorophenoxy)methyl]-5-phenyl-1,3,4-oxadiazole has a molecular weight of 321.16 g/mol, XLogP of 4.62, 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-phenyl-1,3,4-oxadiazole is sourced from PubChem (CID 17404310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).