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

C8H15N3O — CID 65223012

IUPAC2-(3-methyl-1,2,4-oxadiazol-5-yl)pentan-1-amine
SMILESCCCC(CN)c1nc(C)no1
InChIInChI=1S/C8H15N3O/c1-3-4-7(5-9)8-10-6(2)11-12-8/h7H,3-5,9H2,1-2H3
InChIKeyRICHXLAFGRQZSZ-UHFFFAOYSA-N
MW169.23 g/mol
LogP1.22
Rot. Bonds4

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

2-(3-methyl-1,2,4-oxadiazol-5-yl)pentan-1-amine (PubChem CID 65223012) has the molecular formula C8H15N3O and a molecular weight of 169.23 g/mol. Its IUPAC name is 2-(3-methyl-1,2,4-oxadiazol-5-yl)pentan-1-amine.

Molecular Properties

Compound Name2-(3-methyl-1,2,4-oxadiazol-5-yl)pentan-1-amine
PubChem CID65223012
Molecular FormulaC8H15N3O
Molecular Weight169.23 g/mol
Exact Mass169.12
IUPAC Name2-(3-methyl-1,2,4-oxadiazol-5-yl)pentan-1-amine
SMILESCCCC(CN)c1nc(C)no1
InChIInChI=1S/C8H15N3O/c1-3-4-7(5-9)8-10-6(2)11-12-8/h7H,3-5,9H2,1-2H3
InChIKeyRICHXLAFGRQZSZ-UHFFFAOYSA-N
XLogP1.22
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.23
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)pentan-1-amine
CID 65222397
2-[3-(6-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine
CID 65221932
2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine
CID 65222968
(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)pentan-1-amine
CID 93057386
2-[3-(3-ethylcyclopentyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine
CID 65414302
N-tert-butyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)butan-1-amine
CID 59777384
2-(1,2,4-oxadiazol-5-yl)pentan-1-amine
CID 102993784
5-(1-ethylsulfanylethyl)-3-methyl-1,2,4-oxadiazole
CID 130652596
2-[3-(4-ethylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]pentan-1-amine
CID 79666401
1-(3-methyl-1,2,4-oxadiazol-5-yl)-3-methylsulfanylpropan-1-amine;hydrochloride
CID 71828949
2-[3-[(3-chloro-2-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]pentan-1-amine
CID 82802800
2-[3-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-1,2,4-oxadiazol-5-yl]pentan-1-amine
CID 79077765

Frequently Asked Questions

What is the IUPAC name of 2-(3-methyl-1,2,4-oxadiazol-5-yl)pentan-1-amine?
The IUPAC name of 2-(3-methyl-1,2,4-oxadiazol-5-yl)pentan-1-amine (CID 65223012) is 2-(3-methyl-1,2,4-oxadiazol-5-yl)pentan-1-amine.
What is the SMILES notation for 2-(3-methyl-1,2,4-oxadiazol-5-yl)pentan-1-amine?
The canonical SMILES for 2-(3-methyl-1,2,4-oxadiazol-5-yl)pentan-1-amine is CCCC(CN)c1nc(C)no1.
What is the InChIKey of 2-(3-methyl-1,2,4-oxadiazol-5-yl)pentan-1-amine?
The InChIKey is RICHXLAFGRQZSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O/c1-3-4-7(5-9)8-10-6(2)11-12-8/h7H,3-5,9H2,1-2H3.
What are the key properties of 2-(3-methyl-1,2,4-oxadiazol-5-yl)pentan-1-amine?
2-(3-methyl-1,2,4-oxadiazol-5-yl)pentan-1-amine has a molecular weight of 169.23 g/mol, XLogP of 1.22, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methyl-1,2,4-oxadiazol-5-yl)pentan-1-amine is sourced from PubChem (CID 65223012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).