5-(methylaminomethyl)-N-(2-phenylmethoxyethyl)-1,3,4-oxadiazol-2-amine

C13H18N4O2 — CID 137335657

IUPAC5-(methylaminomethyl)-N-(2-phenylmethoxyethyl)-1,3,4-oxadiazol-2-amine
SMILESCNCc1nnc(NCCOCc2ccccc2)o1
InChIInChI=1S/C13H18N4O2/c1-14-9-12-16-17-13(19-12)15-7-8-18-10-11-5-3-2-4-6-11/h2-6,14H,7-10H2,1H3,(H,15,17)
InChIKeyZIQVTXMETAHUTH-UHFFFAOYSA-N
MW262.31 g/mol
LogP1.42
Rot. Bonds8

About 5-(methylaminomethyl)-N-(2-phenylmethoxyethyl)-1,3,4-oxadiazol-2-amine

5-(methylaminomethyl)-N-(2-phenylmethoxyethyl)-1,3,4-oxadiazol-2-amine (PubChem CID 137335657) has the molecular formula C13H18N4O2 and a molecular weight of 262.31 g/mol. Its IUPAC name is 5-(methylaminomethyl)-N-(2-phenylmethoxyethyl)-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-(methylaminomethyl)-N-(2-phenylmethoxyethyl)-1,3,4-oxadiazol-2-amine
PubChem CID137335657
Molecular FormulaC13H18N4O2
Molecular Weight262.31 g/mol
Exact Mass262.14
IUPAC Name5-(methylaminomethyl)-N-(2-phenylmethoxyethyl)-1,3,4-oxadiazol-2-amine
SMILESCNCc1nnc(NCCOCc2ccccc2)o1
InChIInChI=1S/C13H18N4O2/c1-14-9-12-16-17-13(19-12)15-7-8-18-10-11-5-3-2-4-6-11/h2-6,14H,7-10H2,1H3,(H,15,17)
InChIKeyZIQVTXMETAHUTH-UHFFFAOYSA-N
XLogP1.42
TPSA72.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-(methylaminomethyl)-N-(2-pyridin-4-ylethyl)-1,3,4-oxadiazol-2-amine
CID 106969561
N-[2-(4-methoxyphenyl)ethyl]-5-(methylaminomethyl)-1,3,4-oxadiazol-2-amine
CID 106966531
5-(methylaminomethyl)-N-(pyridin-3-ylmethyl)-1,3,4-oxadiazol-2-amine
CID 106967245
5-(ethylaminomethyl)-N-(3-phenylpropyl)-1,3,4-oxadiazol-2-amine
CID 106969533
N-[2-(2-methoxyethoxy)ethyl]-5-[(2-methoxyethylamino)methyl]-1,3,4-oxadiazol-2-amine
CID 106970247
N-(2-phenylmethoxyethyl)pyridin-4-amine
CID 131164924
N-(2-fluorophenyl)-5-(methylaminomethyl)-1,3,4-oxadiazol-2-amine
CID 106968128
N-(2-ethoxyethyl)-5-[(2-methoxyethylamino)methyl]-1,3,4-oxadiazol-2-amine
CID 106966006
5-(methylaminomethyl)-N-(2-methylpropyl)-1,3,4-oxadiazol-2-amine
CID 106967633
N-(3-methoxy-2-methylpropyl)-5-(methylaminomethyl)-1,3,4-oxadiazol-2-amine
CID 106971186
N-(2-iodophenyl)-5-(methylaminomethyl)-1,3,4-oxadiazol-2-amine
CID 106967012
N-benzyl-5-butyl-1,3,4-oxadiazol-2-amine
CID 75446055

Frequently Asked Questions

What is the IUPAC name of 5-(methylaminomethyl)-N-(2-phenylmethoxyethyl)-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-(methylaminomethyl)-N-(2-phenylmethoxyethyl)-1,3,4-oxadiazol-2-amine (CID 137335657) is 5-(methylaminomethyl)-N-(2-phenylmethoxyethyl)-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-(methylaminomethyl)-N-(2-phenylmethoxyethyl)-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-(methylaminomethyl)-N-(2-phenylmethoxyethyl)-1,3,4-oxadiazol-2-amine is CNCc1nnc(NCCOCc2ccccc2)o1.
What is the InChIKey of 5-(methylaminomethyl)-N-(2-phenylmethoxyethyl)-1,3,4-oxadiazol-2-amine?
The InChIKey is ZIQVTXMETAHUTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2/c1-14-9-12-16-17-13(19-12)15-7-8-18-10-11-5-3-2-4-6-11/h2-6,14H,7-10H2,1H3,(H,15,17).
What are the key properties of 5-(methylaminomethyl)-N-(2-phenylmethoxyethyl)-1,3,4-oxadiazol-2-amine?
5-(methylaminomethyl)-N-(2-phenylmethoxyethyl)-1,3,4-oxadiazol-2-amine has a molecular weight of 262.31 g/mol, XLogP of 1.42, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methylaminomethyl)-N-(2-phenylmethoxyethyl)-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 137335657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).