5-[(2-methoxyethylamino)methyl]-N-(1-phenylpropan-2-yl)-1,3,4-oxadiazol-2-amine

C15H22N4O2 — CID 106960989

IUPAC5-[(2-methoxyethylamino)methyl]-N-(1-phenylpropan-2-yl)-1,3,4-oxadiazol-2-amine
SMILESCOCCNCc1nnc(NC(C)Cc2ccccc2)o1
InChIInChI=1S/C15H22N4O2/c1-12(10-13-6-4-3-5-7-13)17-15-19-18-14(21-15)11-16-8-9-20-2/h3-7,12,16H,8-11H2,1-2H3,(H,17,19)
InChIKeyPUWIGXQSHVUESO-UHFFFAOYSA-N
MW290.37 g/mol
LogP1.85
Rot. Bonds9

About 5-[(2-methoxyethylamino)methyl]-N-(1-phenylpropan-2-yl)-1,3,4-oxadiazol-2-amine

5-[(2-methoxyethylamino)methyl]-N-(1-phenylpropan-2-yl)-1,3,4-oxadiazol-2-amine (PubChem CID 106960989) has the molecular formula C15H22N4O2 and a molecular weight of 290.37 g/mol. Its IUPAC name is 5-[(2-methoxyethylamino)methyl]-N-(1-phenylpropan-2-yl)-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-[(2-methoxyethylamino)methyl]-N-(1-phenylpropan-2-yl)-1,3,4-oxadiazol-2-amine
PubChem CID106960989
Molecular FormulaC15H22N4O2
Molecular Weight290.37 g/mol
Exact Mass290.17
IUPAC Name5-[(2-methoxyethylamino)methyl]-N-(1-phenylpropan-2-yl)-1,3,4-oxadiazol-2-amine
SMILESCOCCNCc1nnc(NC(C)Cc2ccccc2)o1
InChIInChI=1S/C15H22N4O2/c1-12(10-13-6-4-3-5-7-13)17-15-19-18-14(21-15)11-16-8-9-20-2/h3-7,12,16H,8-11H2,1-2H3,(H,17,19)
InChIKeyPUWIGXQSHVUESO-UHFFFAOYSA-N
XLogP1.85
TPSA72.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 51.85
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

N-(1-phenylpropan-2-yl)-5-(propylaminomethyl)-1,3,4-oxadiazol-2-amine
CID 106960985
N-(1-cyclopropylpropan-2-yl)-5-[(2-methoxyethylamino)methyl]-1,3,4-oxadiazol-2-amine
CID 106961383
N-[1-(4-chlorophenyl)ethyl]-5-[(2-methoxyethylamino)methyl]-1,3,4-oxadiazol-2-amine
CID 106970950
N-(3-ethylpentan-2-yl)-5-[(2-methoxyethylamino)methyl]-1,3,4-oxadiazol-2-amine
CID 106961187
N-[1-(3-fluorophenyl)ethyl]-5-[(2-methoxyethylamino)methyl]-1,3,4-oxadiazol-2-amine
CID 106970761
N-(1-methoxypropan-2-yl)-5-[(2-methylpropylamino)methyl]-1,3,4-oxadiazol-2-amine
CID 106966384
N-(3-ethylphenyl)-5-[(2-methoxyethylamino)methyl]-1,3,4-oxadiazol-2-amine
CID 106968324
5-(methylaminomethyl)-N-(4-phenylbutan-2-yl)-1,3,4-oxadiazol-2-amine;hydrochloride
CID 154917404
5-[(2-methoxyethylamino)methyl]-N-(pyridin-2-ylmethyl)-1,3,4-oxadiazol-2-amine
CID 106968280
5-[(2-methoxyethylamino)methyl]-N-(1-thiophen-2-ylbutyl)-1,3,4-oxadiazol-2-amine
CID 106970651
5-[(2-methoxyethylamino)methyl]-N-(1-methylsulfanylbutan-2-yl)-1,3,4-oxadiazol-2-amine
CID 106965524
N-[(4-bromophenyl)methyl]-5-[(2-methoxyethylamino)methyl]-1,3,4-oxadiazol-2-amine
CID 106968346

Frequently Asked Questions

What is the IUPAC name of 5-[(2-methoxyethylamino)methyl]-N-(1-phenylpropan-2-yl)-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-[(2-methoxyethylamino)methyl]-N-(1-phenylpropan-2-yl)-1,3,4-oxadiazol-2-amine (CID 106960989) is 5-[(2-methoxyethylamino)methyl]-N-(1-phenylpropan-2-yl)-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-[(2-methoxyethylamino)methyl]-N-(1-phenylpropan-2-yl)-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-[(2-methoxyethylamino)methyl]-N-(1-phenylpropan-2-yl)-1,3,4-oxadiazol-2-amine is COCCNCc1nnc(NC(C)Cc2ccccc2)o1.
What is the InChIKey of 5-[(2-methoxyethylamino)methyl]-N-(1-phenylpropan-2-yl)-1,3,4-oxadiazol-2-amine?
The InChIKey is PUWIGXQSHVUESO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O2/c1-12(10-13-6-4-3-5-7-13)17-15-19-18-14(21-15)11-16-8-9-20-2/h3-7,12,16H,8-11H2,1-2H3,(H,17,19).
What are the key properties of 5-[(2-methoxyethylamino)methyl]-N-(1-phenylpropan-2-yl)-1,3,4-oxadiazol-2-amine?
5-[(2-methoxyethylamino)methyl]-N-(1-phenylpropan-2-yl)-1,3,4-oxadiazol-2-amine has a molecular weight of 290.37 g/mol, XLogP of 1.85, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-methoxyethylamino)methyl]-N-(1-phenylpropan-2-yl)-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 106960989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).