5-(1-amino-3-phenylpropyl)-N,N-dimethyl-1,2,4-oxadiazol-3-amine

C13H18N4O — CID 114918225

IUPAC5-(1-amino-3-phenylpropyl)-N,N-dimethyl-1,2,4-oxadiazol-3-amine
SMILESCN(C)c1noc(C(N)CCc2ccccc2)n1
InChIInChI=1S/C13H18N4O/c1-17(2)13-15-12(18-16-13)11(14)9-8-10-6-4-3-5-7-10/h3-7,11H,8-9,14H2,1-2H3
InChIKeyDZHQAJIARPUCRZ-UHFFFAOYSA-N
MW246.31 g/mol
LogP1.77
Rot. Bonds5

About 5-(1-amino-3-phenylpropyl)-N,N-dimethyl-1,2,4-oxadiazol-3-amine

5-(1-amino-3-phenylpropyl)-N,N-dimethyl-1,2,4-oxadiazol-3-amine (PubChem CID 114918225) has the molecular formula C13H18N4O and a molecular weight of 246.31 g/mol. Its IUPAC name is 5-(1-amino-3-phenylpropyl)-N,N-dimethyl-1,2,4-oxadiazol-3-amine.

Molecular Properties

Compound Name5-(1-amino-3-phenylpropyl)-N,N-dimethyl-1,2,4-oxadiazol-3-amine
PubChem CID114918225
Molecular FormulaC13H18N4O
Molecular Weight246.31 g/mol
Exact Mass246.15
IUPAC Name5-(1-amino-3-phenylpropyl)-N,N-dimethyl-1,2,4-oxadiazol-3-amine
SMILESCN(C)c1noc(C(N)CCc2ccccc2)n1
InChIInChI=1S/C13H18N4O/c1-17(2)13-15-12(18-16-13)11(14)9-8-10-6-4-3-5-7-10/h3-7,11H,8-9,14H2,1-2H3
InChIKeyDZHQAJIARPUCRZ-UHFFFAOYSA-N
XLogP1.77
TPSA68.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)-3-phenylpropan-1-amine
CID 104983433
(1S)-1-(3-butan-2-yl-1,2,4-oxadiazol-5-yl)-3-phenylpropan-1-amine
CID 104983451
(1R)-1-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]-3-phenylpropan-1-amine
CID 118879260
5-[(1S)-1-aminopropyl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine
CID 103822508
1-[3-(cyclopropylmethyl)-1,2,4-oxadiazol-5-yl]-3-phenylpropan-1-amine
CID 114918109
1-[3-(2-methylfuran-3-yl)-1,2,4-oxadiazol-5-yl]-3-phenylpropan-1-amine
CID 114918169
3-phenyl-1-[3-(propoxymethyl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 114917967
(1S)-1-[3-[cyclopropyl(methoxy)methyl]-1,2,4-oxadiazol-5-yl]-3-phenylpropan-1-amine
CID 104983509
1-[3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazol-5-yl]-3-phenylpropan-1-amine
CID 114918052
(1S)-3-phenyl-1-(3-piperidin-1-yl-1,2,4-oxadiazol-5-yl)propan-1-amine
CID 104983514
1-[3-(1-methoxycyclobutyl)-1,2,4-oxadiazol-5-yl]-3-phenylpropan-1-amine
CID 114918176
1-[3-(1H-imidazol-2-yl)-1,2,4-oxadiazol-5-yl]-3-phenylpropan-1-amine
CID 137013136

Frequently Asked Questions

What is the IUPAC name of 5-(1-amino-3-phenylpropyl)-N,N-dimethyl-1,2,4-oxadiazol-3-amine?
The IUPAC name of 5-(1-amino-3-phenylpropyl)-N,N-dimethyl-1,2,4-oxadiazol-3-amine (CID 114918225) is 5-(1-amino-3-phenylpropyl)-N,N-dimethyl-1,2,4-oxadiazol-3-amine.
What is the SMILES notation for 5-(1-amino-3-phenylpropyl)-N,N-dimethyl-1,2,4-oxadiazol-3-amine?
The canonical SMILES for 5-(1-amino-3-phenylpropyl)-N,N-dimethyl-1,2,4-oxadiazol-3-amine is CN(C)c1noc(C(N)CCc2ccccc2)n1.
What is the InChIKey of 5-(1-amino-3-phenylpropyl)-N,N-dimethyl-1,2,4-oxadiazol-3-amine?
The InChIKey is DZHQAJIARPUCRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O/c1-17(2)13-15-12(18-16-13)11(14)9-8-10-6-4-3-5-7-10/h3-7,11H,8-9,14H2,1-2H3.
What are the key properties of 5-(1-amino-3-phenylpropyl)-N,N-dimethyl-1,2,4-oxadiazol-3-amine?
5-(1-amino-3-phenylpropyl)-N,N-dimethyl-1,2,4-oxadiazol-3-amine has a molecular weight of 246.31 g/mol, XLogP of 1.77, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-amino-3-phenylpropyl)-N,N-dimethyl-1,2,4-oxadiazol-3-amine is sourced from PubChem (CID 114918225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).