5-(aminomethyl)-N-benzhydryl-1,3,4-oxadiazol-2-amine

C16H16N4O — CID 106966021

IUPAC5-(aminomethyl)-N-benzhydryl-1,3,4-oxadiazol-2-amine
SMILESNCc1nnc(NC(c2ccccc2)c2ccccc2)o1
InChIInChI=1S/C16H16N4O/c17-11-14-19-20-16(21-14)18-15(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10,15H,11,17H2,(H,18,20)
InChIKeyJBENTIKESBLXPU-UHFFFAOYSA-N
MW280.33 g/mol
LogP2.73
Rot. Bonds5

About 5-(aminomethyl)-N-benzhydryl-1,3,4-oxadiazol-2-amine

5-(aminomethyl)-N-benzhydryl-1,3,4-oxadiazol-2-amine (PubChem CID 106966021) has the molecular formula C16H16N4O and a molecular weight of 280.33 g/mol. Its IUPAC name is 5-(aminomethyl)-N-benzhydryl-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-(aminomethyl)-N-benzhydryl-1,3,4-oxadiazol-2-amine
PubChem CID106966021
Molecular FormulaC16H16N4O
Molecular Weight280.33 g/mol
Exact Mass280.13
IUPAC Name5-(aminomethyl)-N-benzhydryl-1,3,4-oxadiazol-2-amine
SMILESNCc1nnc(NC(c2ccccc2)c2ccccc2)o1
InChIInChI=1S/C16H16N4O/c17-11-14-19-20-16(21-14)18-15(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10,15H,11,17H2,(H,18,20)
InChIKeyJBENTIKESBLXPU-UHFFFAOYSA-N
XLogP2.73
TPSA76.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-N-benzhydryl-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-(aminomethyl)-N-benzhydryl-1,3,4-oxadiazol-2-amine (CID 106966021) is 5-(aminomethyl)-N-benzhydryl-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-(aminomethyl)-N-benzhydryl-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-(aminomethyl)-N-benzhydryl-1,3,4-oxadiazol-2-amine is NCc1nnc(NC(c2ccccc2)c2ccccc2)o1.
What is the InChIKey of 5-(aminomethyl)-N-benzhydryl-1,3,4-oxadiazol-2-amine?
The InChIKey is JBENTIKESBLXPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O/c17-11-14-19-20-16(21-14)18-15(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10,15H,11,17H2,(H,18,20).
What are the key properties of 5-(aminomethyl)-N-benzhydryl-1,3,4-oxadiazol-2-amine?
5-(aminomethyl)-N-benzhydryl-1,3,4-oxadiazol-2-amine has a molecular weight of 280.33 g/mol, XLogP of 2.73, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-N-benzhydryl-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 106966021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).