5-[(benzhydrylideneamino)oxymethyl]-1,3,4-oxadiazol-2-amine

C16H14N4O2 — CID 15954154

IUPAC5-[(benzhydrylideneamino)oxymethyl]-1,3,4-oxadiazol-2-amine
SMILESNc1nnc(CON=C(c2ccccc2)c2ccccc2)o1
InChIInChI=1S/C16H14N4O2/c17-16-19-18-14(22-16)11-21-20-15(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10H,11H2,(H2,17,19)
InChIKeyOIBPRIVMYPKJQE-UHFFFAOYSA-N
MW294.31 g/mol
LogP2.62
Rot. Bonds5

About 5-[(benzhydrylideneamino)oxymethyl]-1,3,4-oxadiazol-2-amine

5-[(benzhydrylideneamino)oxymethyl]-1,3,4-oxadiazol-2-amine (PubChem CID 15954154) has the molecular formula C16H14N4O2 and a molecular weight of 294.31 g/mol. Its IUPAC name is 5-[(benzhydrylideneamino)oxymethyl]-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-[(benzhydrylideneamino)oxymethyl]-1,3,4-oxadiazol-2-amine
PubChem CID15954154
Molecular FormulaC16H14N4O2
Molecular Weight294.31 g/mol
Exact Mass294.11
IUPAC Name5-[(benzhydrylideneamino)oxymethyl]-1,3,4-oxadiazol-2-amine
SMILESNc1nnc(CON=C(c2ccccc2)c2ccccc2)o1
InChIInChI=1S/C16H14N4O2/c17-16-19-18-14(22-16)11-21-20-15(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10H,11H2,(H2,17,19)
InChIKeyOIBPRIVMYPKJQE-UHFFFAOYSA-N
XLogP2.62
TPSA86.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[(benzhydrylideneamino)oxymethyl]-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-[(benzhydrylideneamino)oxymethyl]-1,3,4-oxadiazol-2-amine (CID 15954154) is 5-[(benzhydrylideneamino)oxymethyl]-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-[(benzhydrylideneamino)oxymethyl]-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-[(benzhydrylideneamino)oxymethyl]-1,3,4-oxadiazol-2-amine is Nc1nnc(CON=C(c2ccccc2)c2ccccc2)o1.
What is the InChIKey of 5-[(benzhydrylideneamino)oxymethyl]-1,3,4-oxadiazol-2-amine?
The InChIKey is OIBPRIVMYPKJQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O2/c17-16-19-18-14(22-16)11-21-20-15(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10H,11H2,(H2,17,19).
What are the key properties of 5-[(benzhydrylideneamino)oxymethyl]-1,3,4-oxadiazol-2-amine?
5-[(benzhydrylideneamino)oxymethyl]-1,3,4-oxadiazol-2-amine has a molecular weight of 294.31 g/mol, XLogP of 2.62, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(benzhydrylideneamino)oxymethyl]-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 15954154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).