N-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-1-(3-ethyl-1,2-oxazol-5-yl)-N-methylmethanamine

C15H22N4O2 — CID 91828772

IUPACN-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-1-(3-ethyl-1,2-oxazol-5-yl)-N-methylmethanamine
SMILESCCc1cc(CN(C)Cc2noc(C3CCCC3)n2)on1
InChIInChI=1S/C15H22N4O2/c1-3-12-8-13(20-17-12)9-19(2)10-14-16-15(21-18-14)11-6-4-5-7-11/h8,11H,3-7,9-10H2,1-2H3
InChIKeyMOACHBNMOBIJJH-UHFFFAOYSA-N
MW290.37 g/mol
LogP2.91
Rot. Bonds6

About N-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-1-(3-ethyl-1,2-oxazol-5-yl)-N-methylmethanamine

N-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-1-(3-ethyl-1,2-oxazol-5-yl)-N-methylmethanamine (PubChem CID 91828772) has the molecular formula C15H22N4O2 and a molecular weight of 290.37 g/mol. Its IUPAC name is N-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-1-(3-ethyl-1,2-oxazol-5-yl)-N-methylmethanamine.

Molecular Properties

Compound NameN-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-1-(3-ethyl-1,2-oxazol-5-yl)-N-methylmethanamine
PubChem CID91828772
Molecular FormulaC15H22N4O2
Molecular Weight290.37 g/mol
Exact Mass290.17
IUPAC NameN-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-1-(3-ethyl-1,2-oxazol-5-yl)-N-methylmethanamine
SMILESCCc1cc(CN(C)Cc2noc(C3CCCC3)n2)on1
InChIInChI=1S/C15H22N4O2/c1-3-12-8-13(20-17-12)9-19(2)10-14-16-15(21-18-14)11-6-4-5-7-11/h8,11H,3-7,9-10H2,1-2H3
InChIKeyMOACHBNMOBIJJH-UHFFFAOYSA-N
XLogP2.91
TPSA68.19 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(5-cyclohexyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-1-pyridin-3-ylmethanamine
CID 75438087
1-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylmethanamine
CID 131937175
N-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-1-(6-fluoro-1H-benzimidazol-2-yl)-N-methylmethanamine
CID 91843116
N'-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N'-methylethane-1,2-diamine
CID 62687751
(2S)-N-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-1-(4-methyl-2-pyridinyl)propan-2-amine
CID 124754653
N-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-1-(1-prop-2-enylpyrazol-4-yl)methanamine
CID 77090912
N-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-1-(5-fluoro-2-pyrazol-1-ylphenyl)-N-methylmethanamine
CID 77097445
5-(azepan-4-yl)-3-ethyl-1,2,4-oxadiazole
CID 102548111
4-[[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]methyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol
CID 56719224
N-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-1-(1-phenylpyrrolidin-3-yl)methanamine
CID 135092750
2-[[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]methyl]pyridine-3-carboxylic acid
CID 50956884
ethyl 3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]propanoate
CID 62013173

Frequently Asked Questions

What is the IUPAC name of N-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-1-(3-ethyl-1,2-oxazol-5-yl)-N-methylmethanamine?
The IUPAC name of N-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-1-(3-ethyl-1,2-oxazol-5-yl)-N-methylmethanamine (CID 91828772) is N-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-1-(3-ethyl-1,2-oxazol-5-yl)-N-methylmethanamine.
What is the SMILES notation for N-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-1-(3-ethyl-1,2-oxazol-5-yl)-N-methylmethanamine?
The canonical SMILES for N-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-1-(3-ethyl-1,2-oxazol-5-yl)-N-methylmethanamine is CCc1cc(CN(C)Cc2noc(C3CCCC3)n2)on1.
What is the InChIKey of N-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-1-(3-ethyl-1,2-oxazol-5-yl)-N-methylmethanamine?
The InChIKey is MOACHBNMOBIJJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O2/c1-3-12-8-13(20-17-12)9-19(2)10-14-16-15(21-18-14)11-6-4-5-7-11/h8,11H,3-7,9-10H2,1-2H3.
What are the key properties of N-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-1-(3-ethyl-1,2-oxazol-5-yl)-N-methylmethanamine?
N-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-1-(3-ethyl-1,2-oxazol-5-yl)-N-methylmethanamine has a molecular weight of 290.37 g/mol, XLogP of 2.91, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-1-(3-ethyl-1,2-oxazol-5-yl)-N-methylmethanamine is sourced from PubChem (CID 91828772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).