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

C11H22N4O4 — CID 106970247

IUPACN-[2-(2-methoxyethoxy)ethyl]-5-[(2-methoxyethylamino)methyl]-1,3,4-oxadiazol-2-amine
SMILESCOCCNCc1nnc(NCCOCCOC)o1
InChIInChI=1S/C11H22N4O4/c1-16-5-3-12-9-10-14-15-11(19-10)13-4-6-18-8-7-17-2/h12H,3-9H2,1-2H3,(H,13,15)
InChIKeyHBQSVWWJGNNHHJ-UHFFFAOYSA-N
MW274.32 g/mol
LogP-0.12
Rot. Bonds12

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

N-[2-(2-methoxyethoxy)ethyl]-5-[(2-methoxyethylamino)methyl]-1,3,4-oxadiazol-2-amine (PubChem CID 106970247) has the molecular formula C11H22N4O4 and a molecular weight of 274.32 g/mol. Its IUPAC name is N-[2-(2-methoxyethoxy)ethyl]-5-[(2-methoxyethylamino)methyl]-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound NameN-[2-(2-methoxyethoxy)ethyl]-5-[(2-methoxyethylamino)methyl]-1,3,4-oxadiazol-2-amine
PubChem CID106970247
Molecular FormulaC11H22N4O4
Molecular Weight274.32 g/mol
Exact Mass274.16
IUPAC NameN-[2-(2-methoxyethoxy)ethyl]-5-[(2-methoxyethylamino)methyl]-1,3,4-oxadiazol-2-amine
SMILESCOCCNCc1nnc(NCCOCCOC)o1
InChIInChI=1S/C11H22N4O4/c1-16-5-3-12-9-10-14-15-11(19-10)13-4-6-18-8-7-17-2/h12H,3-9H2,1-2H3,(H,13,15)
InChIKeyHBQSVWWJGNNHHJ-UHFFFAOYSA-N
XLogP-0.12
TPSA90.67 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 5-0.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

N-(2-ethoxyethyl)-5-[(2-methoxyethylamino)methyl]-1,3,4-oxadiazol-2-amine
CID 106966006
5-[(2-methoxyethylamino)methyl]-N-(2-methylsulfonylethyl)-1,3,4-oxadiazol-2-amine
CID 106969617
N-[2-[[5-[(2-methoxyethylamino)methyl]-1,3,4-oxadiazol-2-yl]amino]ethyl]methanesulfonamide
CID 106969158
N-(2-methoxyethyl)-2-[[5-[(2-methoxyethylamino)methyl]-1,3,4-oxadiazol-2-yl]amino]acetamide
CID 106964544
N-[(4-bromophenyl)methyl]-5-[(2-methoxyethylamino)methyl]-1,3,4-oxadiazol-2-amine
CID 106968346
3-[[5-[(2-methoxyethylamino)methyl]-1,3,4-oxadiazol-2-yl]amino]-2,2-dimethylpropanamide
CID 106280983
5-(propylaminomethyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3,4-oxadiazol-2-amine
CID 106961582
5-[(2-methoxyethylamino)methyl]-N-(2-thiophen-2-ylethyl)-1,3,4-oxadiazol-2-amine
CID 106968158
5-[(2-methoxyethylamino)methyl]-N-[(2-methylcyclopentyl)methyl]-1,3,4-oxadiazol-2-amine
CID 107421557
5-[(2-methoxyethylamino)methyl]-N-[(5-methylthiophen-2-yl)methyl]-1,3,4-oxadiazol-2-amine
CID 106960372
N-[2-(5-chlorothiophen-2-yl)ethyl]-5-[(2-methoxyethylamino)methyl]-1,3,4-oxadiazol-2-amine
CID 106046898
5-[(2-methoxyethylamino)methyl]-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-1,3,4-oxadiazol-2-amine
CID 106960965

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methoxyethoxy)ethyl]-5-[(2-methoxyethylamino)methyl]-1,3,4-oxadiazol-2-amine?
The IUPAC name of N-[2-(2-methoxyethoxy)ethyl]-5-[(2-methoxyethylamino)methyl]-1,3,4-oxadiazol-2-amine (CID 106970247) is N-[2-(2-methoxyethoxy)ethyl]-5-[(2-methoxyethylamino)methyl]-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for N-[2-(2-methoxyethoxy)ethyl]-5-[(2-methoxyethylamino)methyl]-1,3,4-oxadiazol-2-amine?
The canonical SMILES for N-[2-(2-methoxyethoxy)ethyl]-5-[(2-methoxyethylamino)methyl]-1,3,4-oxadiazol-2-amine is COCCNCc1nnc(NCCOCCOC)o1.
What is the InChIKey of N-[2-(2-methoxyethoxy)ethyl]-5-[(2-methoxyethylamino)methyl]-1,3,4-oxadiazol-2-amine?
The InChIKey is HBQSVWWJGNNHHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N4O4/c1-16-5-3-12-9-10-14-15-11(19-10)13-4-6-18-8-7-17-2/h12H,3-9H2,1-2H3,(H,13,15).
What are the key properties of N-[2-(2-methoxyethoxy)ethyl]-5-[(2-methoxyethylamino)methyl]-1,3,4-oxadiazol-2-amine?
N-[2-(2-methoxyethoxy)ethyl]-5-[(2-methoxyethylamino)methyl]-1,3,4-oxadiazol-2-amine has a molecular weight of 274.32 g/mol, XLogP of -0.12, 12 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methoxyethoxy)ethyl]-5-[(2-methoxyethylamino)methyl]-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 106970247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).