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

C12H21N3O2 — CID 25380471

IUPACN-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-N-(2-methoxyethyl)propan-2-amine
SMILESCOCCN(Cc1nc(C2CC2)no1)C(C)C
InChIInChI=1S/C12H21N3O2/c1-9(2)15(6-7-16-3)8-11-13-12(14-17-11)10-4-5-10/h9-10H,4-8H2,1-3H3
InChIKeyLCSDKDVKKBYDKW-UHFFFAOYSA-N
MW239.32 g/mol
LogP1.80
Rot. Bonds7

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

N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-N-(2-methoxyethyl)propan-2-amine (PubChem CID 25380471) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-N-(2-methoxyethyl)propan-2-amine.

Molecular Properties

Compound NameN-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-N-(2-methoxyethyl)propan-2-amine
PubChem CID25380471
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC NameN-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-N-(2-methoxyethyl)propan-2-amine
SMILESCOCCN(Cc1nc(C2CC2)no1)C(C)C
InChIInChI=1S/C12H21N3O2/c1-9(2)15(6-7-16-3)8-11-13-12(14-17-11)10-4-5-10/h9-10H,4-8H2,1-3H3
InChIKeyLCSDKDVKKBYDKW-UHFFFAOYSA-N
XLogP1.80
TPSA51.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-N-(2-methoxyethyl)propan-2-amine?
The IUPAC name of N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-N-(2-methoxyethyl)propan-2-amine (CID 25380471) is N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-N-(2-methoxyethyl)propan-2-amine.
What is the SMILES notation for N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-N-(2-methoxyethyl)propan-2-amine?
The canonical SMILES for N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-N-(2-methoxyethyl)propan-2-amine is COCCN(Cc1nc(C2CC2)no1)C(C)C.
What is the InChIKey of N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-N-(2-methoxyethyl)propan-2-amine?
The InChIKey is LCSDKDVKKBYDKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2/c1-9(2)15(6-7-16-3)8-11-13-12(14-17-11)10-4-5-10/h9-10H,4-8H2,1-3H3.
What are the key properties of N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-N-(2-methoxyethyl)propan-2-amine?
N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-N-(2-methoxyethyl)propan-2-amine has a molecular weight of 239.32 g/mol, XLogP of 1.80, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-N-(2-methoxyethyl)propan-2-amine is sourced from PubChem (CID 25380471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).