5-[4-[(2,4-dichlorophenyl)methoxy]phenyl]-3H-1,3,4-oxadiazol-2-one

C15H10Cl2N2O3 — CID 3727528

IUPAC5-[4-[(2,4-dichlorophenyl)methoxy]phenyl]-3H-1,3,4-oxadiazol-2-one
SMILESO=c1[nH]nc(-c2ccc(OCc3ccc(Cl)cc3Cl)cc2)o1
InChIInChI=1S/C15H10Cl2N2O3/c16-11-4-1-10(13(17)7-11)8-21-12-5-2-9(3-6-12)14-18-19-15(20)22-14/h1-7H,8H2,(H,19,20)
InChIKeyILBMXKUDSGCGIU-UHFFFAOYSA-N
MW337.16 g/mol
LogP3.92
Rot. Bonds4

About 5-[4-[(2,4-dichlorophenyl)methoxy]phenyl]-3H-1,3,4-oxadiazol-2-one

5-[4-[(2,4-dichlorophenyl)methoxy]phenyl]-3H-1,3,4-oxadiazol-2-one (PubChem CID 3727528) has the molecular formula C15H10Cl2N2O3 and a molecular weight of 337.16 g/mol. Its IUPAC name is 5-[4-[(2,4-dichlorophenyl)methoxy]phenyl]-3H-1,3,4-oxadiazol-2-one.

Molecular Properties

Compound Name5-[4-[(2,4-dichlorophenyl)methoxy]phenyl]-3H-1,3,4-oxadiazol-2-one
PubChem CID3727528
Molecular FormulaC15H10Cl2N2O3
Molecular Weight337.16 g/mol
Exact Mass336.01
IUPAC Name5-[4-[(2,4-dichlorophenyl)methoxy]phenyl]-3H-1,3,4-oxadiazol-2-one
SMILESO=c1[nH]nc(-c2ccc(OCc3ccc(Cl)cc3Cl)cc2)o1
InChIInChI=1S/C15H10Cl2N2O3/c16-11-4-1-10(13(17)7-11)8-21-12-5-2-9(3-6-12)14-18-19-15(20)22-14/h1-7H,8H2,(H,19,20)
InChIKeyILBMXKUDSGCGIU-UHFFFAOYSA-N
XLogP3.92
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 ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[4-[(2,4-dichlorophenyl)methoxy]phenyl]-3H-1,3,4-oxadiazol-2-one?
The IUPAC name of 5-[4-[(2,4-dichlorophenyl)methoxy]phenyl]-3H-1,3,4-oxadiazol-2-one (CID 3727528) is 5-[4-[(2,4-dichlorophenyl)methoxy]phenyl]-3H-1,3,4-oxadiazol-2-one.
What is the SMILES notation for 5-[4-[(2,4-dichlorophenyl)methoxy]phenyl]-3H-1,3,4-oxadiazol-2-one?
The canonical SMILES for 5-[4-[(2,4-dichlorophenyl)methoxy]phenyl]-3H-1,3,4-oxadiazol-2-one is O=c1[nH]nc(-c2ccc(OCc3ccc(Cl)cc3Cl)cc2)o1.
What is the InChIKey of 5-[4-[(2,4-dichlorophenyl)methoxy]phenyl]-3H-1,3,4-oxadiazol-2-one?
The InChIKey is ILBMXKUDSGCGIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Cl2N2O3/c16-11-4-1-10(13(17)7-11)8-21-12-5-2-9(3-6-12)14-18-19-15(20)22-14/h1-7H,8H2,(H,19,20).
What are the key properties of 5-[4-[(2,4-dichlorophenyl)methoxy]phenyl]-3H-1,3,4-oxadiazol-2-one?
5-[4-[(2,4-dichlorophenyl)methoxy]phenyl]-3H-1,3,4-oxadiazol-2-one has a molecular weight of 337.16 g/mol, XLogP of 3.92, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[(2,4-dichlorophenyl)methoxy]phenyl]-3H-1,3,4-oxadiazol-2-one is sourced from PubChem (CID 3727528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).