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

C10H19N3O2 — CID 62342794

IUPAC3-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]-N-propan-2-ylpropan-1-amine
SMILESCc1nc(COCCCNC(C)C)no1
InChIInChI=1S/C10H19N3O2/c1-8(2)11-5-4-6-14-7-10-12-9(3)15-13-10/h8,11H,4-7H2,1-3H3
InChIKeyUHNYCOZZHDBQBZ-UHFFFAOYSA-N
MW213.28 g/mol
LogP1.28
Rot. Bonds7

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

3-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]-N-propan-2-ylpropan-1-amine (PubChem CID 62342794) has the molecular formula C10H19N3O2 and a molecular weight of 213.28 g/mol. Its IUPAC name is 3-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]-N-propan-2-ylpropan-1-amine.

Molecular Properties

Compound Name3-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]-N-propan-2-ylpropan-1-amine
PubChem CID62342794
Molecular FormulaC10H19N3O2
Molecular Weight213.28 g/mol
Exact Mass213.15
IUPAC Name3-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]-N-propan-2-ylpropan-1-amine
SMILESCc1nc(COCCCNC(C)C)no1
InChIInChI=1S/C10H19N3O2/c1-8(2)11-5-4-6-14-7-10-12-9(3)15-13-10/h8,11H,4-7H2,1-3H3
InChIKeyUHNYCOZZHDBQBZ-UHFFFAOYSA-N
XLogP1.28
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 51.28
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

N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-4-(propan-2-ylamino)butane-1-sulfonamide
CID 106423667
3-[(3,5-dimethylphenyl)methoxy]-N-propan-2-ylpropan-1-amine
CID 62342428
N-[[2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methyl]propan-2-amine
CID 60881788
N-propan-2-yl-3-[(1-propan-2-ylpyrazol-3-yl)methoxy]propan-1-amine
CID 64771673
3-[(5-methyl-3-pyridinyl)methoxy]-N-propan-2-ylpropan-1-amine
CID 102877253
N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]hexan-2-amine
CID 103931604
N-[2-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methoxy]ethyl]propan-2-amine
CID 62342220
3-[3-(propoxymethyl)-1,2,4-oxadiazol-5-yl]-N-propylbutan-2-amine
CID 63350881
3-[(4-bromothiophen-2-yl)methoxy]-N-propan-2-ylpropan-1-amine
CID 62343396
1-(3-ethoxypropyl)-2-methyl-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]guanidine
CID 111601959
(2R)-1-ethoxy-3-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]butan-2-amine
CID 100647343
methyl 3-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]butanoate
CID 103952281

Frequently Asked Questions

What is the IUPAC name of 3-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]-N-propan-2-ylpropan-1-amine?
The IUPAC name of 3-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]-N-propan-2-ylpropan-1-amine (CID 62342794) is 3-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]-N-propan-2-ylpropan-1-amine.
What is the SMILES notation for 3-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]-N-propan-2-ylpropan-1-amine?
The canonical SMILES for 3-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]-N-propan-2-ylpropan-1-amine is Cc1nc(COCCCNC(C)C)no1.
What is the InChIKey of 3-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]-N-propan-2-ylpropan-1-amine?
The InChIKey is UHNYCOZZHDBQBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O2/c1-8(2)11-5-4-6-14-7-10-12-9(3)15-13-10/h8,11H,4-7H2,1-3H3.
What are the key properties of 3-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]-N-propan-2-ylpropan-1-amine?
3-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]-N-propan-2-ylpropan-1-amine has a molecular weight of 213.28 g/mol, XLogP of 1.28, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]-N-propan-2-ylpropan-1-amine is sourced from PubChem (CID 62342794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).