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

C16H24N4OS — CID 74247763

IUPACN-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-N-[[5-(pyrrolidin-1-ylmethyl)thiophen-2-yl]methyl]ethanamine
SMILESCCN(Cc1noc(C)n1)Cc1ccc(CN2CCCC2)s1
InChIInChI=1S/C16H24N4OS/c1-3-19(12-16-17-13(2)21-18-16)10-14-6-7-15(22-14)11-20-8-4-5-9-20/h6-7H,3-5,8-12H2,1-2H3
InChIKeyBKHVXANAQBIKJE-UHFFFAOYSA-N
MW320.46 g/mol
LogP3.06
Rot. Bonds7

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

N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-N-[[5-(pyrrolidin-1-ylmethyl)thiophen-2-yl]methyl]ethanamine (PubChem CID 74247763) has the molecular formula C16H24N4OS and a molecular weight of 320.46 g/mol. Its IUPAC name is N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-N-[[5-(pyrrolidin-1-ylmethyl)thiophen-2-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-N-[[5-(pyrrolidin-1-ylmethyl)thiophen-2-yl]methyl]ethanamine
PubChem CID74247763
Molecular FormulaC16H24N4OS
Molecular Weight320.46 g/mol
Exact Mass320.17
IUPAC NameN-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-N-[[5-(pyrrolidin-1-ylmethyl)thiophen-2-yl]methyl]ethanamine
SMILESCCN(Cc1noc(C)n1)Cc1ccc(CN2CCCC2)s1
InChIInChI=1S/C16H24N4OS/c1-3-19(12-16-17-13(2)21-18-16)10-14-6-7-15(22-14)11-20-8-4-5-9-20/h6-7H,3-5,8-12H2,1-2H3
InChIKeyBKHVXANAQBIKJE-UHFFFAOYSA-N
XLogP3.06
TPSA45.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.46
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(1-ethylpyrazol-4-yl)methyl]-N-[[5-(piperidin-1-ylmethyl)thiophen-2-yl]methyl]ethanamine
CID 77087518
N-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-1-[5-(pyrrolidin-1-ylmethyl)thiophen-2-yl]methanamine
CID 77080388
1-[(2-cyclopropyl-1,3-thiazol-5-yl)methyl]-N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]azepan-4-amine
CID 128998640
(4R)-N-ethyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-(1,3-thiazol-5-ylmethyl)azepan-4-amine
CID 129339399
(1R)-1-(2,5-dimethyl-1,3-thiazol-4-yl)-N-methyl-N-[[5-(pyrrolidin-1-ylmethyl)thiophen-2-yl]methyl]ethanamine
CID 99932643
2-[(2-methyl-1H-imidazol-5-yl)methyl-[[5-(piperidin-1-ylmethyl)thiophen-2-yl]methyl]amino]ethanol
CID 135108470
N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-N-[(3-methylsulfanylphenyl)methyl]ethanamine
CID 74238053
N-[[5-(1-methylbenzimidazol-2-yl)furan-2-yl]methyl]-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]ethanamine
CID 77086927
1-[5-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1,4-diazepane-1-carbonyl]thiophen-2-yl]ethanone
CID 137343339
1-(2-amino-2-methylpropyl)-N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]azepan-4-amine
CID 120857603
3-(1,4-diazepan-1-ylmethyl)-5-methyl-1,2,4-oxadiazole;dihydrochloride
CID 54592664
[5-(piperidin-1-ylmethyl)thiophen-2-yl]methanol
CID 14026222

Frequently Asked Questions

What is the IUPAC name of N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-N-[[5-(pyrrolidin-1-ylmethyl)thiophen-2-yl]methyl]ethanamine?
The IUPAC name of N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-N-[[5-(pyrrolidin-1-ylmethyl)thiophen-2-yl]methyl]ethanamine (CID 74247763) is N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-N-[[5-(pyrrolidin-1-ylmethyl)thiophen-2-yl]methyl]ethanamine.
What is the SMILES notation for N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-N-[[5-(pyrrolidin-1-ylmethyl)thiophen-2-yl]methyl]ethanamine?
The canonical SMILES for N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-N-[[5-(pyrrolidin-1-ylmethyl)thiophen-2-yl]methyl]ethanamine is CCN(Cc1noc(C)n1)Cc1ccc(CN2CCCC2)s1.
What is the InChIKey of N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-N-[[5-(pyrrolidin-1-ylmethyl)thiophen-2-yl]methyl]ethanamine?
The InChIKey is BKHVXANAQBIKJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4OS/c1-3-19(12-16-17-13(2)21-18-16)10-14-6-7-15(22-14)11-20-8-4-5-9-20/h6-7H,3-5,8-12H2,1-2H3.
What are the key properties of N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-N-[[5-(pyrrolidin-1-ylmethyl)thiophen-2-yl]methyl]ethanamine?
N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-N-[[5-(pyrrolidin-1-ylmethyl)thiophen-2-yl]methyl]ethanamine has a molecular weight of 320.46 g/mol, XLogP of 3.06, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-N-[[5-(pyrrolidin-1-ylmethyl)thiophen-2-yl]methyl]ethanamine is sourced from PubChem (CID 74247763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).