N-ethyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)pentan-2-amine

C10H19N3O — CID 63348276

IUPACN-ethyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)pentan-2-amine
SMILESCCCC(Cc1nc(C)no1)NCC
InChIInChI=1S/C10H19N3O/c1-4-6-9(11-5-2)7-10-12-8(3)13-14-10/h9,11H,4-7H2,1-3H3
InChIKeyKUSSVFGINBSOFT-UHFFFAOYSA-N
MW197.28 g/mol
LogP1.70
Rot. Bonds6

About N-ethyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)pentan-2-amine

N-ethyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)pentan-2-amine (PubChem CID 63348276) has the molecular formula C10H19N3O and a molecular weight of 197.28 g/mol. Its IUPAC name is N-ethyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)pentan-2-amine.

Molecular Properties

Compound NameN-ethyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)pentan-2-amine
PubChem CID63348276
Molecular FormulaC10H19N3O
Molecular Weight197.28 g/mol
Exact Mass197.15
IUPAC NameN-ethyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)pentan-2-amine
SMILESCCCC(Cc1nc(C)no1)NCC
InChIInChI=1S/C10H19N3O/c1-4-6-9(11-5-2)7-10-12-8(3)13-14-10/h9,11H,4-7H2,1-3H3
InChIKeyKUSSVFGINBSOFT-UHFFFAOYSA-N
XLogP1.70
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-1-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine
CID 63352522
N-ethyl-1-[3-(2-methylfuran-3-yl)-1,2,4-oxadiazol-5-yl]pentan-2-amine
CID 104790991
1-[3-(tert-butylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-N-ethylpentan-2-amine
CID 65138207
N-ethyl-1-[3-(2-methoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]pentan-2-amine
CID 116780973
1-[3-(3-ethoxypentan-3-yl)-1,2,4-oxadiazol-5-yl]-N-ethylpentan-2-amine
CID 116781080
N-ethyl-1-[3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine
CID 104612017
N-ethyl-1-[3-(4-methoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]pentan-2-amine
CID 116781279
N-ethyl-1-[3-(2-methyloxan-2-yl)-1,2,4-oxadiazol-5-yl]pentan-2-amine
CID 80680961
N-ethyl-1-[3-(3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine
CID 63350316
3-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)-N-propylbutan-2-amine
CID 63347670
3-methyl-5-(2-methylpropyl)-1,2,4-oxadiazole;propane
CID 171626644
1-[3-(3-bromo-5-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-ethylpentan-2-amine
CID 66425105

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)pentan-2-amine?
The IUPAC name of N-ethyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)pentan-2-amine (CID 63348276) is N-ethyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)pentan-2-amine.
What is the SMILES notation for N-ethyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)pentan-2-amine?
The canonical SMILES for N-ethyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)pentan-2-amine is CCCC(Cc1nc(C)no1)NCC.
What is the InChIKey of N-ethyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)pentan-2-amine?
The InChIKey is KUSSVFGINBSOFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O/c1-4-6-9(11-5-2)7-10-12-8(3)13-14-10/h9,11H,4-7H2,1-3H3.
What are the key properties of N-ethyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)pentan-2-amine?
N-ethyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)pentan-2-amine has a molecular weight of 197.28 g/mol, XLogP of 1.70, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)pentan-2-amine is sourced from PubChem (CID 63348276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).