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

C15H11Cl2N3O — CID 101347553

IUPAC5-[(3,4-dichlorophenyl)methyl]-N-phenyl-1,3,4-oxadiazol-2-amine
SMILESClc1ccc(Cc2nnc(Nc3ccccc3)o2)cc1Cl
InChIInChI=1S/C15H11Cl2N3O/c16-12-7-6-10(8-13(12)17)9-14-19-20-15(21-14)18-11-4-2-1-3-5-11/h1-8H,9H2,(H,18,20)
InChIKeyJNEOQIROAWUBPZ-UHFFFAOYSA-N
MW320.18 g/mol
LogP4.71
Rot. Bonds4

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

5-[(3,4-dichlorophenyl)methyl]-N-phenyl-1,3,4-oxadiazol-2-amine (PubChem CID 101347553) has the molecular formula C15H11Cl2N3O and a molecular weight of 320.18 g/mol. Its IUPAC name is 5-[(3,4-dichlorophenyl)methyl]-N-phenyl-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-[(3,4-dichlorophenyl)methyl]-N-phenyl-1,3,4-oxadiazol-2-amine
PubChem CID101347553
Molecular FormulaC15H11Cl2N3O
Molecular Weight320.18 g/mol
Exact Mass319.03
IUPAC Name5-[(3,4-dichlorophenyl)methyl]-N-phenyl-1,3,4-oxadiazol-2-amine
SMILESClc1ccc(Cc2nnc(Nc3ccccc3)o2)cc1Cl
InChIInChI=1S/C15H11Cl2N3O/c16-12-7-6-10(8-13(12)17)9-14-19-20-15(21-14)18-11-4-2-1-3-5-11/h1-8H,9H2,(H,18,20)
InChIKeyJNEOQIROAWUBPZ-UHFFFAOYSA-N
XLogP4.71
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.18
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(3,4-dichlorophenyl)methyl]-N-phenyl-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-[(3,4-dichlorophenyl)methyl]-N-phenyl-1,3,4-oxadiazol-2-amine (CID 101347553) is 5-[(3,4-dichlorophenyl)methyl]-N-phenyl-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-[(3,4-dichlorophenyl)methyl]-N-phenyl-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-[(3,4-dichlorophenyl)methyl]-N-phenyl-1,3,4-oxadiazol-2-amine is Clc1ccc(Cc2nnc(Nc3ccccc3)o2)cc1Cl.
What is the InChIKey of 5-[(3,4-dichlorophenyl)methyl]-N-phenyl-1,3,4-oxadiazol-2-amine?
The InChIKey is JNEOQIROAWUBPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Cl2N3O/c16-12-7-6-10(8-13(12)17)9-14-19-20-15(21-14)18-11-4-2-1-3-5-11/h1-8H,9H2,(H,18,20).
What are the key properties of 5-[(3,4-dichlorophenyl)methyl]-N-phenyl-1,3,4-oxadiazol-2-amine?
5-[(3,4-dichlorophenyl)methyl]-N-phenyl-1,3,4-oxadiazol-2-amine has a molecular weight of 320.18 g/mol, XLogP of 4.71, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3,4-dichlorophenyl)methyl]-N-phenyl-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 101347553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).