N-[[5-(3-phenylpropyl)-1,2,4-oxadiazol-3-yl]methyl]propan-2-amine

C15H21N3O — CID 62342168

IUPACN-[[5-(3-phenylpropyl)-1,2,4-oxadiazol-3-yl]methyl]propan-2-amine
SMILESCC(C)NCc1noc(CCCc2ccccc2)n1
InChIInChI=1S/C15H21N3O/c1-12(2)16-11-14-17-15(19-18-14)10-6-9-13-7-4-3-5-8-13/h3-5,7-8,12,16H,6,9-11H2,1-2H3
InChIKeyLANWQMVKUZONRE-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.74
Rot. Bonds7

About N-[[5-(3-phenylpropyl)-1,2,4-oxadiazol-3-yl]methyl]propan-2-amine

N-[[5-(3-phenylpropyl)-1,2,4-oxadiazol-3-yl]methyl]propan-2-amine (PubChem CID 62342168) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is N-[[5-(3-phenylpropyl)-1,2,4-oxadiazol-3-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[5-(3-phenylpropyl)-1,2,4-oxadiazol-3-yl]methyl]propan-2-amine
PubChem CID62342168
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC NameN-[[5-(3-phenylpropyl)-1,2,4-oxadiazol-3-yl]methyl]propan-2-amine
SMILESCC(C)NCc1noc(CCCc2ccccc2)n1
InChIInChI=1S/C15H21N3O/c1-12(2)16-11-14-17-15(19-18-14)10-6-9-13-7-4-3-5-8-13/h3-5,7-8,12,16H,6,9-11H2,1-2H3
InChIKeyLANWQMVKUZONRE-UHFFFAOYSA-N
XLogP2.74
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[5-(phenylsulfanylmethyl)-1,2,4-oxadiazol-3-yl]methyl]propan-2-amine
CID 79205518
2-amino-3-methyl-4-[5-(3-phenylpropyl)-1,2,4-oxadiazol-3-yl]butan-1-ol;hydrochloride
CID 67585332
3-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 16767874
3-(3-benzyl-1,2,4-oxadiazol-5-yl)-N-methylpropan-1-amine
CID 43152030
N-[[5-[(3,4-dimethylphenyl)methyl]-1,2,4-oxadiazol-3-yl]methyl]propan-2-amine
CID 62538490
N-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]propan-2-amine
CID 62341796
2-[5-(2-phenylethyl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 61335871
N-[[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]methyl]aniline
CID 61385000
N-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-3-methylbutan-2-amine
CID 43663072
N-[[5-(propan-2-yloxymethyl)-1,2,4-oxadiazol-3-yl]methyl]propan-2-amine
CID 112603783
N-[[3-[(5-propyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methyl]propan-2-amine
CID 61495423
1-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]propan-2-amine;hydrochloride
CID 119947668

Frequently Asked Questions

What is the IUPAC name of N-[[5-(3-phenylpropyl)-1,2,4-oxadiazol-3-yl]methyl]propan-2-amine?
The IUPAC name of N-[[5-(3-phenylpropyl)-1,2,4-oxadiazol-3-yl]methyl]propan-2-amine (CID 62342168) is N-[[5-(3-phenylpropyl)-1,2,4-oxadiazol-3-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[5-(3-phenylpropyl)-1,2,4-oxadiazol-3-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[5-(3-phenylpropyl)-1,2,4-oxadiazol-3-yl]methyl]propan-2-amine is CC(C)NCc1noc(CCCc2ccccc2)n1.
What is the InChIKey of N-[[5-(3-phenylpropyl)-1,2,4-oxadiazol-3-yl]methyl]propan-2-amine?
The InChIKey is LANWQMVKUZONRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-12(2)16-11-14-17-15(19-18-14)10-6-9-13-7-4-3-5-8-13/h3-5,7-8,12,16H,6,9-11H2,1-2H3.
What are the key properties of N-[[5-(3-phenylpropyl)-1,2,4-oxadiazol-3-yl]methyl]propan-2-amine?
N-[[5-(3-phenylpropyl)-1,2,4-oxadiazol-3-yl]methyl]propan-2-amine has a molecular weight of 259.35 g/mol, XLogP of 2.74, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(3-phenylpropyl)-1,2,4-oxadiazol-3-yl]methyl]propan-2-amine is sourced from PubChem (CID 62342168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).