5-[(2,4-dichlorophenoxy)methyl]-N-phenyl-1,3,4-oxadiazol-2-amine

C15H11Cl2N3O2 — CID 3042945

IUPAC5-[(2,4-dichlorophenoxy)methyl]-N-phenyl-1,3,4-oxadiazol-2-amine
SMILESClc1ccc(OCc2nnc(Nc3ccccc3)o2)c(Cl)c1
InChIInChI=1S/C15H11Cl2N3O2/c16-10-6-7-13(12(17)8-10)21-9-14-19-20-15(22-14)18-11-4-2-1-3-5-11/h1-8H,9H2,(H,18,20)
InChIKeyTULMRDSKWHLPDP-UHFFFAOYSA-N
MW336.18 g/mol
LogP4.70
Rot. Bonds5

About 5-[(2,4-dichlorophenoxy)methyl]-N-phenyl-1,3,4-oxadiazol-2-amine

5-[(2,4-dichlorophenoxy)methyl]-N-phenyl-1,3,4-oxadiazol-2-amine (PubChem CID 3042945) has the molecular formula C15H11Cl2N3O2 and a molecular weight of 336.18 g/mol. Its IUPAC name is 5-[(2,4-dichlorophenoxy)methyl]-N-phenyl-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-[(2,4-dichlorophenoxy)methyl]-N-phenyl-1,3,4-oxadiazol-2-amine
PubChem CID3042945
Molecular FormulaC15H11Cl2N3O2
Molecular Weight336.18 g/mol
Exact Mass335.02
IUPAC Name5-[(2,4-dichlorophenoxy)methyl]-N-phenyl-1,3,4-oxadiazol-2-amine
SMILESClc1ccc(OCc2nnc(Nc3ccccc3)o2)c(Cl)c1
InChIInChI=1S/C15H11Cl2N3O2/c16-10-6-7-13(12(17)8-10)21-9-14-19-20-15(22-14)18-11-4-2-1-3-5-11/h1-8H,9H2,(H,18,20)
InChIKeyTULMRDSKWHLPDP-UHFFFAOYSA-N
XLogP4.70
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.18
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(2,4-dichlorophenoxy)methyl]-N-phenyl-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-[(2,4-dichlorophenoxy)methyl]-N-phenyl-1,3,4-oxadiazol-2-amine (CID 3042945) is 5-[(2,4-dichlorophenoxy)methyl]-N-phenyl-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-[(2,4-dichlorophenoxy)methyl]-N-phenyl-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-[(2,4-dichlorophenoxy)methyl]-N-phenyl-1,3,4-oxadiazol-2-amine is Clc1ccc(OCc2nnc(Nc3ccccc3)o2)c(Cl)c1.
What is the InChIKey of 5-[(2,4-dichlorophenoxy)methyl]-N-phenyl-1,3,4-oxadiazol-2-amine?
The InChIKey is TULMRDSKWHLPDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Cl2N3O2/c16-10-6-7-13(12(17)8-10)21-9-14-19-20-15(22-14)18-11-4-2-1-3-5-11/h1-8H,9H2,(H,18,20).
What are the key properties of 5-[(2,4-dichlorophenoxy)methyl]-N-phenyl-1,3,4-oxadiazol-2-amine?
5-[(2,4-dichlorophenoxy)methyl]-N-phenyl-1,3,4-oxadiazol-2-amine has a molecular weight of 336.18 g/mol, XLogP of 4.70, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,4-dichlorophenoxy)methyl]-N-phenyl-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 3042945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).