2-[3-chloro-4-[(3-chlorophenyl)methoxy]phenyl]-5-methyl-1,3,4-oxadiazole

C16H12Cl2N2O2 — CID 44571235

IUPAC2-[3-chloro-4-[(3-chlorophenyl)methoxy]phenyl]-5-methyl-1,3,4-oxadiazole
SMILESCc1nnc(-c2ccc(OCc3cccc(Cl)c3)c(Cl)c2)o1
InChIInChI=1S/C16H12Cl2N2O2/c1-10-19-20-16(22-10)12-5-6-15(14(18)8-12)21-9-11-3-2-4-13(17)7-11/h2-8H,9H2,1H3
InChIKeyUTUIVMIGPAJXBR-UHFFFAOYSA-N
MW335.19 g/mol
LogP4.93
Rot. Bonds4

About 2-[3-chloro-4-[(3-chlorophenyl)methoxy]phenyl]-5-methyl-1,3,4-oxadiazole

2-[3-chloro-4-[(3-chlorophenyl)methoxy]phenyl]-5-methyl-1,3,4-oxadiazole (PubChem CID 44571235) has the molecular formula C16H12Cl2N2O2 and a molecular weight of 335.19 g/mol. Its IUPAC name is 2-[3-chloro-4-[(3-chlorophenyl)methoxy]phenyl]-5-methyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[3-chloro-4-[(3-chlorophenyl)methoxy]phenyl]-5-methyl-1,3,4-oxadiazole
PubChem CID44571235
Molecular FormulaC16H12Cl2N2O2
Molecular Weight335.19 g/mol
Exact Mass334.03
IUPAC Name2-[3-chloro-4-[(3-chlorophenyl)methoxy]phenyl]-5-methyl-1,3,4-oxadiazole
SMILESCc1nnc(-c2ccc(OCc3cccc(Cl)c3)c(Cl)c2)o1
InChIInChI=1S/C16H12Cl2N2O2/c1-10-19-20-16(22-10)12-5-6-15(14(18)8-12)21-9-11-3-2-4-13(17)7-11/h2-8H,9H2,1H3
InChIKeyUTUIVMIGPAJXBR-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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Frequently Asked Questions

What is the IUPAC name of 2-[3-chloro-4-[(3-chlorophenyl)methoxy]phenyl]-5-methyl-1,3,4-oxadiazole?
The IUPAC name of 2-[3-chloro-4-[(3-chlorophenyl)methoxy]phenyl]-5-methyl-1,3,4-oxadiazole (CID 44571235) is 2-[3-chloro-4-[(3-chlorophenyl)methoxy]phenyl]-5-methyl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[3-chloro-4-[(3-chlorophenyl)methoxy]phenyl]-5-methyl-1,3,4-oxadiazole?
The canonical SMILES for 2-[3-chloro-4-[(3-chlorophenyl)methoxy]phenyl]-5-methyl-1,3,4-oxadiazole is Cc1nnc(-c2ccc(OCc3cccc(Cl)c3)c(Cl)c2)o1.
What is the InChIKey of 2-[3-chloro-4-[(3-chlorophenyl)methoxy]phenyl]-5-methyl-1,3,4-oxadiazole?
The InChIKey is UTUIVMIGPAJXBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12Cl2N2O2/c1-10-19-20-16(22-10)12-5-6-15(14(18)8-12)21-9-11-3-2-4-13(17)7-11/h2-8H,9H2,1H3.
What are the key properties of 2-[3-chloro-4-[(3-chlorophenyl)methoxy]phenyl]-5-methyl-1,3,4-oxadiazole?
2-[3-chloro-4-[(3-chlorophenyl)methoxy]phenyl]-5-methyl-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-chloro-4-[(3-chlorophenyl)methoxy]phenyl]-5-methyl-1,3,4-oxadiazole is sourced from PubChem (CID 44571235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).