N-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-2-methoxy-N-(pyrrolidin-2-ylmethyl)ethanamine

C15H28N4O2 — CID 106617692

IUPACN-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-2-methoxy-N-(pyrrolidin-2-ylmethyl)ethanamine
SMILESCOCCN(Cc1nc(C(C)(C)C)no1)CC1CCCN1
InChIInChI=1S/C15H28N4O2/c1-15(2,3)14-17-13(21-18-14)11-19(8-9-20-4)10-12-6-5-7-16-12/h12,16H,5-11H2,1-4H3
InChIKeyNYAOSGSTYWQFAJ-UHFFFAOYSA-N
MW296.41 g/mol
LogP1.57
Rot. Bonds7

About N-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-2-methoxy-N-(pyrrolidin-2-ylmethyl)ethanamine

N-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-2-methoxy-N-(pyrrolidin-2-ylmethyl)ethanamine (PubChem CID 106617692) has the molecular formula C15H28N4O2 and a molecular weight of 296.41 g/mol. Its IUPAC name is N-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-2-methoxy-N-(pyrrolidin-2-ylmethyl)ethanamine.

Molecular Properties

Compound NameN-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-2-methoxy-N-(pyrrolidin-2-ylmethyl)ethanamine
PubChem CID106617692
Molecular FormulaC15H28N4O2
Molecular Weight296.41 g/mol
Exact Mass296.22
IUPAC NameN-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-2-methoxy-N-(pyrrolidin-2-ylmethyl)ethanamine
SMILESCOCCN(Cc1nc(C(C)(C)C)no1)CC1CCCN1
InChIInChI=1S/C15H28N4O2/c1-15(2,3)14-17-13(21-18-14)11-19(8-9-20-4)10-12-6-5-7-16-12/h12,16H,5-11H2,1-4H3
InChIKeyNYAOSGSTYWQFAJ-UHFFFAOYSA-N
XLogP1.57
TPSA63.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-methoxyethyl)-2,2-dimethyl-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106606206
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-methoxy-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 106605994
N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106615842
3-methoxy-N-(2-methoxyethyl)-N-[[(2R)-pyrrolidin-2-yl]methyl]propan-1-amine
CID 102819399
3-tert-butyl-5-(2-piperidin-2-ylethyl)-1,2,4-oxadiazole
CID 62216210
2-methoxy-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 106617504
N-(azepan-2-ylmethyl)-2-methoxy-N-(2-methoxyethyl)ethanamine
CID 64569967
N-(piperidin-2-ylmethyl)-N-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]propan-1-amine
CID 106636093
N-[(2,6-dichloro-3-pyridinyl)methyl]-2-methoxy-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 106994993
N,N-diethyl-N'-(2-methoxyethyl)-N'-(pyrrolidin-2-ylmethyl)ethane-1,2-diamine
CID 106617646
N'-(2-methoxyethyl)-N,N-dimethyl-N'-(pyrrolidin-2-ylmethyl)ethane-1,2-diamine
CID 106617601
N-[(3,5-difluorophenyl)methyl]-2-methoxy-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 106605797

Frequently Asked Questions

What is the IUPAC name of N-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-2-methoxy-N-(pyrrolidin-2-ylmethyl)ethanamine?
The IUPAC name of N-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-2-methoxy-N-(pyrrolidin-2-ylmethyl)ethanamine (CID 106617692) is N-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-2-methoxy-N-(pyrrolidin-2-ylmethyl)ethanamine.
What is the SMILES notation for N-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-2-methoxy-N-(pyrrolidin-2-ylmethyl)ethanamine?
The canonical SMILES for N-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-2-methoxy-N-(pyrrolidin-2-ylmethyl)ethanamine is COCCN(Cc1nc(C(C)(C)C)no1)CC1CCCN1.
What is the InChIKey of N-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-2-methoxy-N-(pyrrolidin-2-ylmethyl)ethanamine?
The InChIKey is NYAOSGSTYWQFAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4O2/c1-15(2,3)14-17-13(21-18-14)11-19(8-9-20-4)10-12-6-5-7-16-12/h12,16H,5-11H2,1-4H3.
What are the key properties of N-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-2-methoxy-N-(pyrrolidin-2-ylmethyl)ethanamine?
N-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-2-methoxy-N-(pyrrolidin-2-ylmethyl)ethanamine has a molecular weight of 296.41 g/mol, XLogP of 1.57, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-2-methoxy-N-(pyrrolidin-2-ylmethyl)ethanamine is sourced from PubChem (CID 106617692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).