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

C10H20N4O2 — CID 106967784

IUPAC5-[(2-methoxyethylamino)methyl]-N-methyl-N-propan-2-yl-1,3,4-oxadiazol-2-amine
SMILESCOCCNCc1nnc(N(C)C(C)C)o1
InChIInChI=1S/C10H20N4O2/c1-8(2)14(3)10-13-12-9(16-10)7-11-5-6-15-4/h8,11H,5-7H2,1-4H3
InChIKeyPEPYKRPCKXBFEY-UHFFFAOYSA-N
MW228.30 g/mol
LogP0.65
Rot. Bonds7

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

5-[(2-methoxyethylamino)methyl]-N-methyl-N-propan-2-yl-1,3,4-oxadiazol-2-amine (PubChem CID 106967784) has the molecular formula C10H20N4O2 and a molecular weight of 228.30 g/mol. Its IUPAC name is 5-[(2-methoxyethylamino)methyl]-N-methyl-N-propan-2-yl-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-[(2-methoxyethylamino)methyl]-N-methyl-N-propan-2-yl-1,3,4-oxadiazol-2-amine
PubChem CID106967784
Molecular FormulaC10H20N4O2
Molecular Weight228.30 g/mol
Exact Mass228.16
IUPAC Name5-[(2-methoxyethylamino)methyl]-N-methyl-N-propan-2-yl-1,3,4-oxadiazol-2-amine
SMILESCOCCNCc1nnc(N(C)C(C)C)o1
InChIInChI=1S/C10H20N4O2/c1-8(2)14(3)10-13-12-9(16-10)7-11-5-6-15-4/h8,11H,5-7H2,1-4H3
InChIKeyPEPYKRPCKXBFEY-UHFFFAOYSA-N
XLogP0.65
TPSA63.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.30
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

5-[(2-methoxyethylamino)methyl]-N-methyl-N-(1-methylsulfanylpropan-2-yl)-1,3,4-oxadiazol-2-amine
CID 106964246
2-[[5-[(2-methoxyethylamino)methyl]-1,3,4-oxadiazol-2-yl]-propan-2-ylamino]ethanol
CID 106960024
5-[(2-methoxyethylamino)methyl]-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)-1,3,4-oxadiazol-2-amine
CID 106963014
2-[2-methoxyethyl-[5-[(2-methoxyethylamino)methyl]-1,3,4-oxadiazol-2-yl]amino]ethanol
CID 106964675
5-[[5-[(2-methoxyethylamino)methyl]-1,3,4-oxadiazol-2-yl]-methylamino]pentan-1-ol
CID 107207682
N-butyl-N-ethyl-5-[(2-methoxyethylamino)methyl]-1,3,4-oxadiazol-2-amine
CID 106966919
N-cyclopropyl-5-[(2-methoxyethylamino)methyl]-N-(2-methylpropyl)-1,3,4-oxadiazol-2-amine
CID 106970430
N-(cyclopentylmethyl)-5-[(2-methoxyethylamino)methyl]-N-methyl-1,3,4-oxadiazol-2-amine
CID 106961211
N-cyclopropyl-N-ethyl-5-[(2-methoxyethylamino)methyl]-1,3,4-oxadiazol-2-amine
CID 106968636
5-[(2-methoxyethylamino)methyl]-N-propyl-N-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-amine
CID 106969915
N-(2-methoxyethyl)-N-(3-methoxypropyl)-5-[(2-methylpropylamino)methyl]-1,3,4-oxadiazol-2-amine
CID 106970989
N-(3-ethylpentan-2-yl)-5-[(2-methoxyethylamino)methyl]-1,3,4-oxadiazol-2-amine
CID 106961187

Frequently Asked Questions

What is the IUPAC name of 5-[(2-methoxyethylamino)methyl]-N-methyl-N-propan-2-yl-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-[(2-methoxyethylamino)methyl]-N-methyl-N-propan-2-yl-1,3,4-oxadiazol-2-amine (CID 106967784) is 5-[(2-methoxyethylamino)methyl]-N-methyl-N-propan-2-yl-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-[(2-methoxyethylamino)methyl]-N-methyl-N-propan-2-yl-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-[(2-methoxyethylamino)methyl]-N-methyl-N-propan-2-yl-1,3,4-oxadiazol-2-amine is COCCNCc1nnc(N(C)C(C)C)o1.
What is the InChIKey of 5-[(2-methoxyethylamino)methyl]-N-methyl-N-propan-2-yl-1,3,4-oxadiazol-2-amine?
The InChIKey is PEPYKRPCKXBFEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N4O2/c1-8(2)14(3)10-13-12-9(16-10)7-11-5-6-15-4/h8,11H,5-7H2,1-4H3.
What are the key properties of 5-[(2-methoxyethylamino)methyl]-N-methyl-N-propan-2-yl-1,3,4-oxadiazol-2-amine?
5-[(2-methoxyethylamino)methyl]-N-methyl-N-propan-2-yl-1,3,4-oxadiazol-2-amine has a molecular weight of 228.30 g/mol, XLogP of 0.65, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-methoxyethylamino)methyl]-N-methyl-N-propan-2-yl-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 106967784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).