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

C8H15N3O — CID 93057386

IUPAC(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)pentan-1-amine
SMILESCCCC[C@H](N)c1nc(C)no1
InChIInChI=1S/C8H15N3O/c1-3-4-5-7(9)8-10-6(2)11-12-8/h7H,3-5,9H2,1-2H3/t7-/m0/s1
InChIKeyPKAQRQGODOVHJM-ZETCQYMHSA-N
MW169.23 g/mol
LogP1.57
Rot. Bonds4

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

(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)pentan-1-amine (PubChem CID 93057386) has the molecular formula C8H15N3O and a molecular weight of 169.23 g/mol. Its IUPAC name is (1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)pentan-1-amine.

Molecular Properties

Compound Name(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)pentan-1-amine
PubChem CID93057386
Molecular FormulaC8H15N3O
Molecular Weight169.23 g/mol
Exact Mass169.12
IUPAC Name(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)pentan-1-amine
SMILESCCCC[C@H](N)c1nc(C)no1
InChIInChI=1S/C8H15N3O/c1-3-4-5-7(9)8-10-6(2)11-12-8/h7H,3-5,9H2,1-2H3/t7-/m0/s1
InChIKeyPKAQRQGODOVHJM-ZETCQYMHSA-N
XLogP1.57
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 ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-propyl-1,2,4-oxadiazol-5-yl)pentan-1-amine
CID 43670431
1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pentan-1-amine
CID 43470394
1-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine
CID 82008553
1-(3-methyl-1,2,4-oxadiazol-5-yl)-3-methylsulfanylpropan-1-amine;hydrochloride
CID 71828949
(1S)-1-[3-(2-methylcyclopropyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine
CID 107145004
1-[3-[2-(dimethylamino)ethyl]-1,2,4-oxadiazol-5-yl]pentan-1-amine
CID 115345285
1-[3-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine
CID 104880772
(1S)-1-[3-(2-methoxypropyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine
CID 107145098
1-[3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine
CID 63839212
5-(1-aminopentyl)-N-methyl-1,2,4-oxadiazole-3-carboxamide
CID 102790410
(1S)-1-[3-(tert-butylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine
CID 107144978
(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)-3-phenylpropan-1-amine
CID 104983433

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)pentan-1-amine?
The IUPAC name of (1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)pentan-1-amine (CID 93057386) is (1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)pentan-1-amine.
What is the SMILES notation for (1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)pentan-1-amine?
The canonical SMILES for (1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)pentan-1-amine is CCCC[C@H](N)c1nc(C)no1.
What is the InChIKey of (1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)pentan-1-amine?
The InChIKey is PKAQRQGODOVHJM-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H15N3O/c1-3-4-5-7(9)8-10-6(2)11-12-8/h7H,3-5,9H2,1-2H3/t7-/m0/s1.
What are the key properties of (1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)pentan-1-amine?
(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)pentan-1-amine has a molecular weight of 169.23 g/mol, XLogP of 1.57, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)pentan-1-amine is sourced from PubChem (CID 93057386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).