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

C12H22N4O2 — CID 106961383

IUPACN-(1-cyclopropylpropan-2-yl)-5-[(2-methoxyethylamino)methyl]-1,3,4-oxadiazol-2-amine
SMILESCOCCNCc1nnc(NC(C)CC2CC2)o1
InChIInChI=1S/C12H22N4O2/c1-9(7-10-3-4-10)14-12-16-15-11(18-12)8-13-5-6-17-2/h9-10,13H,3-8H2,1-2H3,(H,14,16)
InChIKeyUUZLNVFXSAISCP-UHFFFAOYSA-N
MW254.33 g/mol
LogP1.41
Rot. Bonds9

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

N-(1-cyclopropylpropan-2-yl)-5-[(2-methoxyethylamino)methyl]-1,3,4-oxadiazol-2-amine (PubChem CID 106961383) has the molecular formula C12H22N4O2 and a molecular weight of 254.33 g/mol. Its IUPAC name is N-(1-cyclopropylpropan-2-yl)-5-[(2-methoxyethylamino)methyl]-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound NameN-(1-cyclopropylpropan-2-yl)-5-[(2-methoxyethylamino)methyl]-1,3,4-oxadiazol-2-amine
PubChem CID106961383
Molecular FormulaC12H22N4O2
Molecular Weight254.33 g/mol
Exact Mass254.17
IUPAC NameN-(1-cyclopropylpropan-2-yl)-5-[(2-methoxyethylamino)methyl]-1,3,4-oxadiazol-2-amine
SMILESCOCCNCc1nnc(NC(C)CC2CC2)o1
InChIInChI=1S/C12H22N4O2/c1-9(7-10-3-4-10)14-12-16-15-11(18-12)8-13-5-6-17-2/h9-10,13H,3-8H2,1-2H3,(H,14,16)
InChIKeyUUZLNVFXSAISCP-UHFFFAOYSA-N
XLogP1.41
TPSA72.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 51.41
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

5-[(2-methoxyethylamino)methyl]-N-(1-phenylpropan-2-yl)-1,3,4-oxadiazol-2-amine
CID 106960989
N-(3-ethylpentan-2-yl)-5-[(2-methoxyethylamino)methyl]-1,3,4-oxadiazol-2-amine
CID 106961187
N-(1-methoxypropan-2-yl)-5-[(2-methylpropylamino)methyl]-1,3,4-oxadiazol-2-amine
CID 106966384
5-[(2-methoxyethylamino)methyl]-N-(1-methylsulfanylbutan-2-yl)-1,3,4-oxadiazol-2-amine
CID 106965524
N-[1-(4-chlorophenyl)ethyl]-5-[(2-methoxyethylamino)methyl]-1,3,4-oxadiazol-2-amine
CID 106970950
N-[2-(2-methoxyethoxy)ethyl]-5-[(2-methoxyethylamino)methyl]-1,3,4-oxadiazol-2-amine
CID 106970247
5-[(2-methoxyethylamino)methyl]-N-(3-methylcyclobutyl)-1,3,4-oxadiazol-2-amine
CID 106964977
5-[(2-methoxyethylamino)methyl]-N-[(2-methylcyclopentyl)methyl]-1,3,4-oxadiazol-2-amine
CID 107421557
N-(3,5-dimethylcyclohexyl)-5-[(2-methoxyethylamino)methyl]-1,3,4-oxadiazol-2-amine
CID 106962281
5-[(2-methoxyethylamino)methyl]-N-(1-oxothian-4-yl)-1,3,4-oxadiazol-2-amine
CID 106964756
N-[1-(3-fluorophenyl)ethyl]-5-[(2-methoxyethylamino)methyl]-1,3,4-oxadiazol-2-amine
CID 106970761
N-(2-ethoxyethyl)-5-[(2-methoxyethylamino)methyl]-1,3,4-oxadiazol-2-amine
CID 106966006

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropylpropan-2-yl)-5-[(2-methoxyethylamino)methyl]-1,3,4-oxadiazol-2-amine?
The IUPAC name of N-(1-cyclopropylpropan-2-yl)-5-[(2-methoxyethylamino)methyl]-1,3,4-oxadiazol-2-amine (CID 106961383) is N-(1-cyclopropylpropan-2-yl)-5-[(2-methoxyethylamino)methyl]-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for N-(1-cyclopropylpropan-2-yl)-5-[(2-methoxyethylamino)methyl]-1,3,4-oxadiazol-2-amine?
The canonical SMILES for N-(1-cyclopropylpropan-2-yl)-5-[(2-methoxyethylamino)methyl]-1,3,4-oxadiazol-2-amine is COCCNCc1nnc(NC(C)CC2CC2)o1.
What is the InChIKey of N-(1-cyclopropylpropan-2-yl)-5-[(2-methoxyethylamino)methyl]-1,3,4-oxadiazol-2-amine?
The InChIKey is UUZLNVFXSAISCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O2/c1-9(7-10-3-4-10)14-12-16-15-11(18-12)8-13-5-6-17-2/h9-10,13H,3-8H2,1-2H3,(H,14,16).
What are the key properties of N-(1-cyclopropylpropan-2-yl)-5-[(2-methoxyethylamino)methyl]-1,3,4-oxadiazol-2-amine?
N-(1-cyclopropylpropan-2-yl)-5-[(2-methoxyethylamino)methyl]-1,3,4-oxadiazol-2-amine has a molecular weight of 254.33 g/mol, XLogP of 1.41, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopropylpropan-2-yl)-5-[(2-methoxyethylamino)methyl]-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 106961383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).