N-[[(3R)-1-[(1R)-1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]pyrrolidin-3-yl]methyl]-N-ethylethanamine

C17H32N4O — CID 98773208

IUPACN-[[(3R)-1-[(1R)-1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]pyrrolidin-3-yl]methyl]-N-ethylethanamine
SMILESCCN(CC)C[C@H]1CCN([C@H](C)c2nc(C(C)(C)C)no2)C1
InChIInChI=1S/C17H32N4O/c1-7-20(8-2)11-14-9-10-21(12-14)13(3)15-18-16(19-22-15)17(4,5)6/h13-14H,7-12H2,1-6H3/t13-,14-/m1/s1
InChIKeyLSAZOGMFNKMHGF-ZIAGYGMSSA-N
MW308.47 g/mol
LogP3.09
Rot. Bonds6

About N-[[(3R)-1-[(1R)-1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]pyrrolidin-3-yl]methyl]-N-ethylethanamine

N-[[(3R)-1-[(1R)-1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]pyrrolidin-3-yl]methyl]-N-ethylethanamine (PubChem CID 98773208) has the molecular formula C17H32N4O and a molecular weight of 308.47 g/mol. Its IUPAC name is N-[[(3R)-1-[(1R)-1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]pyrrolidin-3-yl]methyl]-N-ethylethanamine.

Molecular Properties

Compound NameN-[[(3R)-1-[(1R)-1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]pyrrolidin-3-yl]methyl]-N-ethylethanamine
PubChem CID98773208
Molecular FormulaC17H32N4O
Molecular Weight308.47 g/mol
Exact Mass308.26
IUPAC NameN-[[(3R)-1-[(1R)-1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]pyrrolidin-3-yl]methyl]-N-ethylethanamine
SMILESCCN(CC)C[C@H]1CCN([C@H](C)c2nc(C(C)(C)C)no2)C1
InChIInChI=1S/C17H32N4O/c1-7-20(8-2)11-14-9-10-21(12-14)13(3)15-18-16(19-22-15)17(4,5)6/h13-14H,7-12H2,1-6H3/t13-,14-/m1/s1
InChIKeyLSAZOGMFNKMHGF-ZIAGYGMSSA-N
XLogP3.09
TPSA45.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.47
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[(3R)-1-[(1R)-1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]pyrrolidin-3-yl]methyl]-N-ethylethanamine?
The IUPAC name of N-[[(3R)-1-[(1R)-1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]pyrrolidin-3-yl]methyl]-N-ethylethanamine (CID 98773208) is N-[[(3R)-1-[(1R)-1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]pyrrolidin-3-yl]methyl]-N-ethylethanamine.
What is the SMILES notation for N-[[(3R)-1-[(1R)-1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]pyrrolidin-3-yl]methyl]-N-ethylethanamine?
The canonical SMILES for N-[[(3R)-1-[(1R)-1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]pyrrolidin-3-yl]methyl]-N-ethylethanamine is CCN(CC)C[C@H]1CCN([C@H](C)c2nc(C(C)(C)C)no2)C1.
What is the InChIKey of N-[[(3R)-1-[(1R)-1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]pyrrolidin-3-yl]methyl]-N-ethylethanamine?
The InChIKey is LSAZOGMFNKMHGF-ZIAGYGMSSA-N. The full InChI is InChI=1S/C17H32N4O/c1-7-20(8-2)11-14-9-10-21(12-14)13(3)15-18-16(19-22-15)17(4,5)6/h13-14H,7-12H2,1-6H3/t13-,14-/m1/s1.
What are the key properties of N-[[(3R)-1-[(1R)-1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]pyrrolidin-3-yl]methyl]-N-ethylethanamine?
N-[[(3R)-1-[(1R)-1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]pyrrolidin-3-yl]methyl]-N-ethylethanamine has a molecular weight of 308.47 g/mol, XLogP of 3.09, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3R)-1-[(1R)-1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]pyrrolidin-3-yl]methyl]-N-ethylethanamine is sourced from PubChem (CID 98773208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).