(1S)-1-[3-(2-methoxypropyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine

C11H21N3O2 — CID 107145098

IUPAC(1S)-1-[3-(2-methoxypropyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine
SMILESCCCC[C@H](N)c1nc(CC(C)OC)no1
InChIInChI=1S/C11H21N3O2/c1-4-5-6-9(12)11-13-10(14-16-11)7-8(2)15-3/h8-9H,4-7,12H2,1-3H3/t8?,9-/m0/s1
InChIKeyDIPZGKBGOLTHAC-GKAPJAKFSA-N
MW227.31 g/mol
LogP1.84
Rot. Bonds7

About (1S)-1-[3-(2-methoxypropyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine

(1S)-1-[3-(2-methoxypropyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine (PubChem CID 107145098) has the molecular formula C11H21N3O2 and a molecular weight of 227.31 g/mol. Its IUPAC name is (1S)-1-[3-(2-methoxypropyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine.

Molecular Properties

Compound Name(1S)-1-[3-(2-methoxypropyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine
PubChem CID107145098
Molecular FormulaC11H21N3O2
Molecular Weight227.31 g/mol
Exact Mass227.16
IUPAC Name(1S)-1-[3-(2-methoxypropyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine
SMILESCCCC[C@H](N)c1nc(CC(C)OC)no1
InChIInChI=1S/C11H21N3O2/c1-4-5-6-9(12)11-13-10(14-16-11)7-8(2)15-3/h8-9H,4-7,12H2,1-3H3/t8?,9-/m0/s1
InChIKeyDIPZGKBGOLTHAC-GKAPJAKFSA-N
XLogP1.84
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-propyl-1,2,4-oxadiazol-5-yl)pentan-1-amine
CID 43670431
(1S)-1-[3-(2-methoxypropyl)-1,2,4-oxadiazol-5-yl]-2,2-dimethylpropan-1-amine
CID 104899660
1-[3-[2-(dimethylamino)ethyl]-1,2,4-oxadiazol-5-yl]pentan-1-amine
CID 115345285
1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pentan-1-amine
CID 43470394
(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)pentan-1-amine
CID 93057386
(1S)-1-[3-(tert-butylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine
CID 107144978
(R)-[3-(2-methoxypropyl)-1,2,4-oxadiazol-5-yl]-phenylmethanamine
CID 104898781
1-[3-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]pentan-1-amine
CID 103145887
1-(3-propyl-1,2,4-oxadiazol-5-yl)butan-1-amine
CID 43670386
1-[3-(2-phenoxyethyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine
CID 43470343
1-(3-butyl-1,2,4-oxadiazol-5-yl)-3-methylsulfanylpropan-1-amine
CID 79405955
1-[3-[(2-bromophenyl)methyl]-1,2,4-oxadiazol-5-yl]pentan-1-amine
CID 55118607

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[3-(2-methoxypropyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine?
The IUPAC name of (1S)-1-[3-(2-methoxypropyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine (CID 107145098) is (1S)-1-[3-(2-methoxypropyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine.
What is the SMILES notation for (1S)-1-[3-(2-methoxypropyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine?
The canonical SMILES for (1S)-1-[3-(2-methoxypropyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine is CCCC[C@H](N)c1nc(CC(C)OC)no1.
What is the InChIKey of (1S)-1-[3-(2-methoxypropyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine?
The InChIKey is DIPZGKBGOLTHAC-GKAPJAKFSA-N. The full InChI is InChI=1S/C11H21N3O2/c1-4-5-6-9(12)11-13-10(14-16-11)7-8(2)15-3/h8-9H,4-7,12H2,1-3H3/t8?,9-/m0/s1.
What are the key properties of (1S)-1-[3-(2-methoxypropyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine?
(1S)-1-[3-(2-methoxypropyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine has a molecular weight of 227.31 g/mol, XLogP of 1.84, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[3-(2-methoxypropyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine is sourced from PubChem (CID 107145098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).