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

C11H21N3O2 — CID 62342220

IUPACN-[2-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methoxy]ethyl]propan-2-amine
SMILESCC(C)NCCOCc1nc(C(C)C)no1
InChIInChI=1S/C11H21N3O2/c1-8(2)11-13-10(16-14-11)7-15-6-5-12-9(3)4/h8-9,12H,5-7H2,1-4H3
InChIKeyQWQXMXWRPMQMOV-UHFFFAOYSA-N
MW227.31 g/mol
LogP1.71
Rot. Bonds7

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

N-[2-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methoxy]ethyl]propan-2-amine (PubChem CID 62342220) 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-2-amine.

Molecular Properties

Compound NameN-[2-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methoxy]ethyl]propan-2-amine
PubChem CID62342220
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-2-amine
SMILESCC(C)NCCOCc1nc(C(C)C)no1
InChIInChI=1S/C11H21N3O2/c1-8(2)11-13-10(16-14-11)7-15-6-5-12-9(3)4/h8-9,12H,5-7H2,1-4H3
InChIKeyQWQXMXWRPMQMOV-UHFFFAOYSA-N
XLogP1.71
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
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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Frequently Asked Questions

What is the IUPAC name of N-[2-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methoxy]ethyl]propan-2-amine?
The IUPAC name of N-[2-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methoxy]ethyl]propan-2-amine (CID 62342220) is N-[2-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methoxy]ethyl]propan-2-amine.
What is the SMILES notation for N-[2-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methoxy]ethyl]propan-2-amine?
The canonical SMILES for N-[2-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methoxy]ethyl]propan-2-amine is CC(C)NCCOCc1nc(C(C)C)no1.
What is the InChIKey of N-[2-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methoxy]ethyl]propan-2-amine?
The InChIKey is QWQXMXWRPMQMOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O2/c1-8(2)11-13-10(16-14-11)7-15-6-5-12-9(3)4/h8-9,12H,5-7H2,1-4H3.
What are the key properties of N-[2-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methoxy]ethyl]propan-2-amine?
N-[2-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methoxy]ethyl]propan-2-amine has a molecular weight of 227.31 g/mol, XLogP of 1.71, 7 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-2-amine is sourced from PubChem (CID 62342220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).