5-[3-chloro-4-[(3-chlorophenyl)methoxy]phenyl]-1,3,4-oxadiazol-2-amine

C15H11Cl2N3O2 — CID 44571237

IUPAC5-[3-chloro-4-[(3-chlorophenyl)methoxy]phenyl]-1,3,4-oxadiazol-2-amine
SMILESNc1nnc(-c2ccc(OCc3cccc(Cl)c3)c(Cl)c2)o1
InChIInChI=1S/C15H11Cl2N3O2/c16-11-3-1-2-9(6-11)8-21-13-5-4-10(7-12(13)17)14-19-20-15(18)22-14/h1-7H,8H2,(H2,18,20)
InChIKeyBXLQCMUCZHGYTD-UHFFFAOYSA-N
MW336.18 g/mol
LogP4.20
Rot. Bonds4

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

5-[3-chloro-4-[(3-chlorophenyl)methoxy]phenyl]-1,3,4-oxadiazol-2-amine (PubChem CID 44571237) has the molecular formula C15H11Cl2N3O2 and a molecular weight of 336.18 g/mol. Its IUPAC name is 5-[3-chloro-4-[(3-chlorophenyl)methoxy]phenyl]-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-[3-chloro-4-[(3-chlorophenyl)methoxy]phenyl]-1,3,4-oxadiazol-2-amine
PubChem CID44571237
Molecular FormulaC15H11Cl2N3O2
Molecular Weight336.18 g/mol
Exact Mass335.02
IUPAC Name5-[3-chloro-4-[(3-chlorophenyl)methoxy]phenyl]-1,3,4-oxadiazol-2-amine
SMILESNc1nnc(-c2ccc(OCc3cccc(Cl)c3)c(Cl)c2)o1
InChIInChI=1S/C15H11Cl2N3O2/c16-11-3-1-2-9(6-11)8-21-13-5-4-10(7-12(13)17)14-19-20-15(18)22-14/h1-7H,8H2,(H2,18,20)
InChIKeyBXLQCMUCZHGYTD-UHFFFAOYSA-N
XLogP4.20
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.18
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[3-chloro-4-[(3-chlorophenyl)methoxy]phenyl]-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-[3-chloro-4-[(3-chlorophenyl)methoxy]phenyl]-1,3,4-oxadiazol-2-amine (CID 44571237) is 5-[3-chloro-4-[(3-chlorophenyl)methoxy]phenyl]-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-[3-chloro-4-[(3-chlorophenyl)methoxy]phenyl]-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-[3-chloro-4-[(3-chlorophenyl)methoxy]phenyl]-1,3,4-oxadiazol-2-amine is Nc1nnc(-c2ccc(OCc3cccc(Cl)c3)c(Cl)c2)o1.
What is the InChIKey of 5-[3-chloro-4-[(3-chlorophenyl)methoxy]phenyl]-1,3,4-oxadiazol-2-amine?
The InChIKey is BXLQCMUCZHGYTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Cl2N3O2/c16-11-3-1-2-9(6-11)8-21-13-5-4-10(7-12(13)17)14-19-20-15(18)22-14/h1-7H,8H2,(H2,18,20).
What are the key properties of 5-[3-chloro-4-[(3-chlorophenyl)methoxy]phenyl]-1,3,4-oxadiazol-2-amine?
5-[3-chloro-4-[(3-chlorophenyl)methoxy]phenyl]-1,3,4-oxadiazol-2-amine has a molecular weight of 336.18 g/mol, XLogP of 4.20, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-chloro-4-[(3-chlorophenyl)methoxy]phenyl]-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 44571237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).