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

C13H24N4O — CID 106615842

IUPACN-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-N-(pyrrolidin-2-ylmethyl)propan-1-amine
SMILESCCCN(Cc1nc(CC)no1)CC1CCCN1
InChIInChI=1S/C13H24N4O/c1-3-8-17(9-11-6-5-7-14-11)10-13-15-12(4-2)16-18-13/h11,14H,3-10H2,1-2H3
InChIKeyIGYLGLGUERZQRV-UHFFFAOYSA-N
MW252.36 g/mol
LogP1.60
Rot. Bonds7

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

N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-N-(pyrrolidin-2-ylmethyl)propan-1-amine (PubChem CID 106615842) has the molecular formula C13H24N4O and a molecular weight of 252.36 g/mol. Its IUPAC name is N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-N-(pyrrolidin-2-ylmethyl)propan-1-amine.

Molecular Properties

Compound NameN-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-N-(pyrrolidin-2-ylmethyl)propan-1-amine
PubChem CID106615842
Molecular FormulaC13H24N4O
Molecular Weight252.36 g/mol
Exact Mass252.20
IUPAC NameN-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-N-(pyrrolidin-2-ylmethyl)propan-1-amine
SMILESCCCN(Cc1nc(CC)no1)CC1CCCN1
InChIInChI=1S/C13H24N4O/c1-3-8-17(9-11-6-5-7-14-11)10-13-15-12(4-2)16-18-13/h11,14H,3-10H2,1-2H3
InChIKeyIGYLGLGUERZQRV-UHFFFAOYSA-N
XLogP1.60
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(piperidin-2-ylmethyl)-N-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]propan-1-amine
CID 106636093
N-(piperidin-2-ylmethyl)-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]propan-1-amine
CID 106635960
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106603931
N-(1,3-benzoxazol-2-ylmethyl)-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106615684
N-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-2-methoxy-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 106617692
6-[[piperidin-2-ylmethyl(propyl)amino]methyl]-1,3,5-triazine-2,4-diamine
CID 106635842
3-propyl-5-(pyrrolidin-2-ylmethyl)-1,2,4-oxadiazole
CID 61371732
N-[(5-chlorothiadiazol-4-yl)methyl]-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106615752
N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-N-(piperidin-2-ylmethyl)ethanamine
CID 106632738
N-(1,2-oxazol-5-ylmethyl)-N-(piperidin-2-ylmethyl)propan-1-amine
CID 106635999
N-(pyrrolidin-2-ylmethyl)-N-(1,3-thiazol-5-ylmethyl)propan-1-amine
CID 106603791
N-(cycloheptylmethyl)-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106604137

Frequently Asked Questions

What is the IUPAC name of N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-N-(pyrrolidin-2-ylmethyl)propan-1-amine?
The IUPAC name of N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-N-(pyrrolidin-2-ylmethyl)propan-1-amine (CID 106615842) is N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-N-(pyrrolidin-2-ylmethyl)propan-1-amine.
What is the SMILES notation for N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-N-(pyrrolidin-2-ylmethyl)propan-1-amine?
The canonical SMILES for N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-N-(pyrrolidin-2-ylmethyl)propan-1-amine is CCCN(Cc1nc(CC)no1)CC1CCCN1.
What is the InChIKey of N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-N-(pyrrolidin-2-ylmethyl)propan-1-amine?
The InChIKey is IGYLGLGUERZQRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O/c1-3-8-17(9-11-6-5-7-14-11)10-13-15-12(4-2)16-18-13/h11,14H,3-10H2,1-2H3.
What are the key properties of N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-N-(pyrrolidin-2-ylmethyl)propan-1-amine?
N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-N-(pyrrolidin-2-ylmethyl)propan-1-amine has a molecular weight of 252.36 g/mol, XLogP of 1.60, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-N-(pyrrolidin-2-ylmethyl)propan-1-amine is sourced from PubChem (CID 106615842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).