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

C15H21N3O2 — CID 43470343

IUPAC1-[3-(2-phenoxyethyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine
SMILESCCCCC(N)c1nc(CCOc2ccccc2)no1
InChIInChI=1S/C15H21N3O2/c1-2-3-9-13(16)15-17-14(18-20-15)10-11-19-12-7-5-4-6-8-12/h4-8,13H,2-3,9-11,16H2,1H3
InChIKeyNJHOUZYKDZPPQR-UHFFFAOYSA-N
MW275.35 g/mol
LogP2.88
Rot. Bonds8

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

1-[3-(2-phenoxyethyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine (PubChem CID 43470343) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 1-[3-(2-phenoxyethyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine.

Molecular Properties

Compound Name1-[3-(2-phenoxyethyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine
PubChem CID43470343
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name1-[3-(2-phenoxyethyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine
SMILESCCCCC(N)c1nc(CCOc2ccccc2)no1
InChIInChI=1S/C15H21N3O2/c1-2-3-9-13(16)15-17-14(18-20-15)10-11-19-12-7-5-4-6-8-12/h4-8,13H,2-3,9-11,16H2,1H3
InChIKeyNJHOUZYKDZPPQR-UHFFFAOYSA-N
XLogP2.88
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-methyl-1-[3-(2-phenoxyethyl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 43108787
1-(3-propyl-1,2,4-oxadiazol-5-yl)pentan-1-amine
CID 43670431
5-(1-chloroethyl)-3-(2-phenoxyethyl)-1,2,4-oxadiazole
CID 43150191
1-[3-[(2-bromophenyl)methyl]-1,2,4-oxadiazol-5-yl]pentan-1-amine
CID 55118607
1-[3-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]pentan-1-amine
CID 103145887
(1R)-1-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]-3-phenylpropan-1-amine
CID 118879260
2-(1-aminopentyl)-N-(2-phenoxyethyl)-1,3-oxazole-4-carboxamide
CID 3731660
1-[3-[2-(dimethylamino)ethyl]-1,2,4-oxadiazol-5-yl]pentan-1-amine
CID 115345285
3-phenyl-1-[3-(propoxymethyl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 114917967
(1S)-1-[3-(2-methoxypropyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine
CID 107145098
(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)pentan-1-amine
CID 93057386
1-[3-[(3-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]pentan-1-amine
CID 61219332

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-phenoxyethyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine?
The IUPAC name of 1-[3-(2-phenoxyethyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine (CID 43470343) is 1-[3-(2-phenoxyethyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine.
What is the SMILES notation for 1-[3-(2-phenoxyethyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine?
The canonical SMILES for 1-[3-(2-phenoxyethyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine is CCCCC(N)c1nc(CCOc2ccccc2)no1.
What is the InChIKey of 1-[3-(2-phenoxyethyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine?
The InChIKey is NJHOUZYKDZPPQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-2-3-9-13(16)15-17-14(18-20-15)10-11-19-12-7-5-4-6-8-12/h4-8,13H,2-3,9-11,16H2,1H3.
What are the key properties of 1-[3-(2-phenoxyethyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine?
1-[3-(2-phenoxyethyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine has a molecular weight of 275.35 g/mol, XLogP of 2.88, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-phenoxyethyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine is sourced from PubChem (CID 43470343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).