5-[[4-chloro-3-(2-chlorophenoxy)phenyl]methyl]-3H-1,3,4-oxadiazol-2-one

C15H10Cl2N2O3 — CID 18456859

IUPAC5-[[4-chloro-3-(2-chlorophenoxy)phenyl]methyl]-3H-1,3,4-oxadiazol-2-one
SMILESO=c1[nH]nc(Cc2ccc(Cl)c(Oc3ccccc3Cl)c2)o1
InChIInChI=1S/C15H10Cl2N2O3/c16-10-3-1-2-4-12(10)21-13-7-9(5-6-11(13)17)8-14-18-19-15(20)22-14/h1-7H,8H2,(H,19,20)
InChIKeyPHDXPTQLWXKYPJ-UHFFFAOYSA-N
MW337.16 g/mol
LogP4.05
Rot. Bonds4

About 5-[[4-chloro-3-(2-chlorophenoxy)phenyl]methyl]-3H-1,3,4-oxadiazol-2-one

5-[[4-chloro-3-(2-chlorophenoxy)phenyl]methyl]-3H-1,3,4-oxadiazol-2-one (PubChem CID 18456859) has the molecular formula C15H10Cl2N2O3 and a molecular weight of 337.16 g/mol. Its IUPAC name is 5-[[4-chloro-3-(2-chlorophenoxy)phenyl]methyl]-3H-1,3,4-oxadiazol-2-one.

Molecular Properties

Compound Name5-[[4-chloro-3-(2-chlorophenoxy)phenyl]methyl]-3H-1,3,4-oxadiazol-2-one
PubChem CID18456859
Molecular FormulaC15H10Cl2N2O3
Molecular Weight337.16 g/mol
Exact Mass336.01
IUPAC Name5-[[4-chloro-3-(2-chlorophenoxy)phenyl]methyl]-3H-1,3,4-oxadiazol-2-one
SMILESO=c1[nH]nc(Cc2ccc(Cl)c(Oc3ccccc3Cl)c2)o1
InChIInChI=1S/C15H10Cl2N2O3/c16-10-3-1-2-4-12(10)21-13-7-9(5-6-11(13)17)8-14-18-19-15(20)22-14/h1-7H,8H2,(H,19,20)
InChIKeyPHDXPTQLWXKYPJ-UHFFFAOYSA-N
XLogP4.05
TPSA68.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.16
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[[4-chloro-3-(2-chlorophenoxy)phenyl]methyl]-3H-1,3,4-oxadiazol-2-one?
The IUPAC name of 5-[[4-chloro-3-(2-chlorophenoxy)phenyl]methyl]-3H-1,3,4-oxadiazol-2-one (CID 18456859) is 5-[[4-chloro-3-(2-chlorophenoxy)phenyl]methyl]-3H-1,3,4-oxadiazol-2-one.
What is the SMILES notation for 5-[[4-chloro-3-(2-chlorophenoxy)phenyl]methyl]-3H-1,3,4-oxadiazol-2-one?
The canonical SMILES for 5-[[4-chloro-3-(2-chlorophenoxy)phenyl]methyl]-3H-1,3,4-oxadiazol-2-one is O=c1[nH]nc(Cc2ccc(Cl)c(Oc3ccccc3Cl)c2)o1.
What is the InChIKey of 5-[[4-chloro-3-(2-chlorophenoxy)phenyl]methyl]-3H-1,3,4-oxadiazol-2-one?
The InChIKey is PHDXPTQLWXKYPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Cl2N2O3/c16-10-3-1-2-4-12(10)21-13-7-9(5-6-11(13)17)8-14-18-19-15(20)22-14/h1-7H,8H2,(H,19,20).
What are the key properties of 5-[[4-chloro-3-(2-chlorophenoxy)phenyl]methyl]-3H-1,3,4-oxadiazol-2-one?
5-[[4-chloro-3-(2-chlorophenoxy)phenyl]methyl]-3H-1,3,4-oxadiazol-2-one has a molecular weight of 337.16 g/mol, XLogP of 4.05, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-chloro-3-(2-chlorophenoxy)phenyl]methyl]-3H-1,3,4-oxadiazol-2-one is sourced from PubChem (CID 18456859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).