N-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-N'-cyclopropyl-N'-methylethane-1,2-diamine

C16H22N4O — CID 62977426

IUPACN-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-N'-cyclopropyl-N'-methylethane-1,2-diamine
SMILESCN(CCNCc1nc(Cc2ccccc2)no1)C1CC1
InChIInChI=1S/C16H22N4O/c1-20(14-7-8-14)10-9-17-12-16-18-15(19-21-16)11-13-5-3-2-4-6-13/h2-6,14,17H,7-12H2,1H3
InChIKeyWSLFFMQLFBFLNW-UHFFFAOYSA-N
MW286.38 g/mol
LogP1.84
Rot. Bonds8

About N-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-N'-cyclopropyl-N'-methylethane-1,2-diamine

N-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-N'-cyclopropyl-N'-methylethane-1,2-diamine (PubChem CID 62977426) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is N-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-N'-cyclopropyl-N'-methylethane-1,2-diamine.

Molecular Properties

Compound NameN-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-N'-cyclopropyl-N'-methylethane-1,2-diamine
PubChem CID62977426
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC NameN-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-N'-cyclopropyl-N'-methylethane-1,2-diamine
SMILESCN(CCNCc1nc(Cc2ccccc2)no1)C1CC1
InChIInChI=1S/C16H22N4O/c1-20(14-7-8-14)10-9-17-12-16-18-15(19-21-16)11-13-5-3-2-4-6-13/h2-6,14,17H,7-12H2,1H3
InChIKeyWSLFFMQLFBFLNW-UHFFFAOYSA-N
XLogP1.84
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

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1-(3-benzyl-1,2,4-oxadiazol-5-yl)-N-[(1-methylcyclobutyl)methyl]methanamine
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N-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-2-(furan-2-yl)ethanamine
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N-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-3-methylbut-2-en-1-amine
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2-[(3-benzyl-1,2,4-oxadiazol-5-yl)methylamino]-N-methylacetamide
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N-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-1-methylcyclopropan-1-amine
CID 113485424
N-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-2-methoxy-2-methylpropan-1-amine
CID 104760594
3-[(3-benzyl-1,2,4-oxadiazol-5-yl)methylamino]-2,2-dimethylpropan-1-ol
CID 115359974
N-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]cyclobutanecarboxamide
CID 47437849
N-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-3-methylpentan-3-amine
CID 103746603
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Frequently Asked Questions

What is the IUPAC name of N-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-N'-cyclopropyl-N'-methylethane-1,2-diamine?
The IUPAC name of N-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-N'-cyclopropyl-N'-methylethane-1,2-diamine (CID 62977426) is N-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-N'-cyclopropyl-N'-methylethane-1,2-diamine.
What is the SMILES notation for N-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-N'-cyclopropyl-N'-methylethane-1,2-diamine?
The canonical SMILES for N-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-N'-cyclopropyl-N'-methylethane-1,2-diamine is CN(CCNCc1nc(Cc2ccccc2)no1)C1CC1.
What is the InChIKey of N-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-N'-cyclopropyl-N'-methylethane-1,2-diamine?
The InChIKey is WSLFFMQLFBFLNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c1-20(14-7-8-14)10-9-17-12-16-18-15(19-21-16)11-13-5-3-2-4-6-13/h2-6,14,17H,7-12H2,1H3.
What are the key properties of N-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-N'-cyclopropyl-N'-methylethane-1,2-diamine?
N-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-N'-cyclopropyl-N'-methylethane-1,2-diamine has a molecular weight of 286.38 g/mol, XLogP of 1.84, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-N'-cyclopropyl-N'-methylethane-1,2-diamine is sourced from PubChem (CID 62977426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).