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

C11H21N3O2 — CID 62338045

IUPACN-[2-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methoxy]ethyl]propan-1-amine
SMILESCCCNCCOCc1nc(C(C)C)no1
InChIInChI=1S/C11H21N3O2/c1-4-5-12-6-7-15-8-10-13-11(9(2)3)14-16-10/h9,12H,4-8H2,1-3H3
InChIKeyVBWWONOOSCFKLC-UHFFFAOYSA-N
MW227.31 g/mol
LogP1.71
Rot. Bonds8

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

N-[2-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methoxy]ethyl]propan-1-amine (PubChem CID 62338045) has the molecular formula C11H21N3O2 and a molecular weight of 227.31 g/mol. Its IUPAC name is N-[2-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methoxy]ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methoxy]ethyl]propan-1-amine
PubChem CID62338045
Molecular FormulaC11H21N3O2
Molecular Weight227.31 g/mol
Exact Mass227.16
IUPAC NameN-[2-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methoxy]ethyl]propan-1-amine
SMILESCCCNCCOCc1nc(C(C)C)no1
InChIInChI=1S/C11H21N3O2/c1-4-5-12-6-7-15-8-10-13-11(9(2)3)14-16-10/h9,12H,4-8H2,1-3H3
InChIKeyVBWWONOOSCFKLC-UHFFFAOYSA-N
XLogP1.71
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 51.71
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-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methoxy]ethyl]propan-2-amine
CID 62342220
N-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]propan-1-amine
CID 60720301
1-[5-(propoxymethyl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 104880073
N-ethyl-2-[(3-propyl-1,2,4-oxadiazol-5-yl)methoxy]ethanamine
CID 62336858
N-ethyl-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]ethanamine
CID 62337220
4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-N-propylbutan-2-amine
CID 63347865
2-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methoxy]acetic acid
CID 61312303
1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-N-propylbutan-2-amine
CID 63347724
N-ethyl-2-[(5-propyl-1,2,4-oxadiazol-3-yl)methoxy]ethanamine
CID 62336676
3,3-dimethyl-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-N-propylbutan-2-amine
CID 63347721
N-[[1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]pyrrol-3-yl]methyl]propan-1-amine
CID 66404925
2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]-N-ethylethanamine
CID 62336678

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methoxy]ethyl]propan-1-amine?
The IUPAC name of N-[2-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methoxy]ethyl]propan-1-amine (CID 62338045) is N-[2-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methoxy]ethyl]propan-1-amine.
What is the SMILES notation for N-[2-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methoxy]ethyl]propan-1-amine?
The canonical SMILES for N-[2-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methoxy]ethyl]propan-1-amine is CCCNCCOCc1nc(C(C)C)no1.
What is the InChIKey of N-[2-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methoxy]ethyl]propan-1-amine?
The InChIKey is VBWWONOOSCFKLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O2/c1-4-5-12-6-7-15-8-10-13-11(9(2)3)14-16-10/h9,12H,4-8H2,1-3H3.
What are the key properties of N-[2-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methoxy]ethyl]propan-1-amine?
N-[2-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methoxy]ethyl]propan-1-amine has a molecular weight of 227.31 g/mol, XLogP of 1.71, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methoxy]ethyl]propan-1-amine is sourced from PubChem (CID 62338045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).