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

C12H19N5O2 — CID 106567823

IUPACN-(3-methoxypropyl)-4-methyl-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]imidazol-2-amine
SMILESCOCCCNc1nc(C)cn1Cc1nc(C)no1
InChIInChI=1S/C12H19N5O2/c1-9-7-17(8-11-15-10(2)16-19-11)12(14-9)13-5-4-6-18-3/h7H,4-6,8H2,1-3H3,(H,13,14)
InChIKeySCOAZCZHCZAZPH-UHFFFAOYSA-N
MW265.32 g/mol
LogP1.38
Rot. Bonds7

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

N-(3-methoxypropyl)-4-methyl-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]imidazol-2-amine (PubChem CID 106567823) has the molecular formula C12H19N5O2 and a molecular weight of 265.32 g/mol. Its IUPAC name is N-(3-methoxypropyl)-4-methyl-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]imidazol-2-amine.

Molecular Properties

Compound NameN-(3-methoxypropyl)-4-methyl-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]imidazol-2-amine
PubChem CID106567823
Molecular FormulaC12H19N5O2
Molecular Weight265.32 g/mol
Exact Mass265.15
IUPAC NameN-(3-methoxypropyl)-4-methyl-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]imidazol-2-amine
SMILESCOCCCNc1nc(C)cn1Cc1nc(C)no1
InChIInChI=1S/C12H19N5O2/c1-9-7-17(8-11-15-10(2)16-19-11)12(14-9)13-5-4-6-18-3/h7H,4-6,8H2,1-3H3,(H,13,14)
InChIKeySCOAZCZHCZAZPH-UHFFFAOYSA-N
XLogP1.38
TPSA78.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(dimethylamino)-2-methylpropyl]-N-(3-methoxypropyl)-4-methylimidazol-2-amine
CID 106569041
N-(3-methoxypropyl)-4-methyl-1-(1,3-thiazol-2-ylmethyl)imidazol-2-amine
CID 106565695
1-[2-(2-methoxyethoxy)ethyl]-N-(3-methoxypropyl)-4-methylimidazol-2-amine
CID 106564456
N-(3-methoxypropyl)-4-methyl-1-(oxan-2-ylmethyl)imidazol-2-amine
CID 106563918
N-(3-methoxypropyl)-4-methyl-1-(3-pyrrolidin-1-ylpropyl)imidazol-2-amine
CID 106572086
4-methyl-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]imidazol-2-amine
CID 106567821
N-(2-methoxyethyl)-4-methyl-1-[(2-methylphenyl)methyl]imidazol-2-amine
CID 106563145
1-(2-methoxyethyl)-4-methyl-N-octylimidazol-2-amine
CID 106578866
N-[1-(3-methoxypropyl)-4-methylimidazol-2-yl]-N',N'-dimethylethane-1,2-diamine
CID 106555104
N-(2-methoxyethyl)-4-methyl-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]imidazol-2-amine
CID 106575995
N',N'-diethyl-N-[1-(3-methoxypropyl)-4-methylimidazol-2-yl]propane-1,3-diamine
CID 106558822
N-(3-methoxypropyl)-4-methyl-1-[(1-methylpyrrolidin-3-yl)methyl]imidazol-2-amine
CID 106563068

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)-4-methyl-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]imidazol-2-amine?
The IUPAC name of N-(3-methoxypropyl)-4-methyl-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]imidazol-2-amine (CID 106567823) is N-(3-methoxypropyl)-4-methyl-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]imidazol-2-amine.
What is the SMILES notation for N-(3-methoxypropyl)-4-methyl-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]imidazol-2-amine?
The canonical SMILES for N-(3-methoxypropyl)-4-methyl-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]imidazol-2-amine is COCCCNc1nc(C)cn1Cc1nc(C)no1.
What is the InChIKey of N-(3-methoxypropyl)-4-methyl-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]imidazol-2-amine?
The InChIKey is SCOAZCZHCZAZPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O2/c1-9-7-17(8-11-15-10(2)16-19-11)12(14-9)13-5-4-6-18-3/h7H,4-6,8H2,1-3H3,(H,13,14).
What are the key properties of N-(3-methoxypropyl)-4-methyl-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]imidazol-2-amine?
N-(3-methoxypropyl)-4-methyl-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]imidazol-2-amine has a molecular weight of 265.32 g/mol, XLogP of 1.38, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-4-methyl-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]imidazol-2-amine is sourced from PubChem (CID 106567823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).