(1S)-1-(3-butan-2-yl-1,2,4-oxadiazol-5-yl)-3-phenylpropan-1-amine

C15H21N3O — CID 104983451

IUPAC(1S)-1-(3-butan-2-yl-1,2,4-oxadiazol-5-yl)-3-phenylpropan-1-amine
SMILESCCC(C)c1noc([C@@H](N)CCc2ccccc2)n1
InChIInChI=1S/C15H21N3O/c1-3-11(2)14-17-15(19-18-14)13(16)10-9-12-7-5-4-6-8-12/h4-8,11,13H,3,9-10,16H2,1-2H3/t11?,13-/m0/s1
InChIKeyQCEVREYRDSAROQ-YUZLPWPTSA-N
MW259.35 g/mol
LogP3.22
Rot. Bonds6

About (1S)-1-(3-butan-2-yl-1,2,4-oxadiazol-5-yl)-3-phenylpropan-1-amine

(1S)-1-(3-butan-2-yl-1,2,4-oxadiazol-5-yl)-3-phenylpropan-1-amine (PubChem CID 104983451) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is (1S)-1-(3-butan-2-yl-1,2,4-oxadiazol-5-yl)-3-phenylpropan-1-amine.

Molecular Properties

Compound Name(1S)-1-(3-butan-2-yl-1,2,4-oxadiazol-5-yl)-3-phenylpropan-1-amine
PubChem CID104983451
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name(1S)-1-(3-butan-2-yl-1,2,4-oxadiazol-5-yl)-3-phenylpropan-1-amine
SMILESCCC(C)c1noc([C@@H](N)CCc2ccccc2)n1
InChIInChI=1S/C15H21N3O/c1-3-11(2)14-17-15(19-18-14)13(16)10-9-12-7-5-4-6-8-12/h4-8,11,13H,3,9-10,16H2,1-2H3/t11?,13-/m0/s1
InChIKeyQCEVREYRDSAROQ-YUZLPWPTSA-N
XLogP3.22
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)-3-phenylpropan-1-amine
CID 104983433
5-(1-amino-3-phenylpropyl)-N,N-dimethyl-1,2,4-oxadiazol-3-amine
CID 114918225
(1S)-1-[3-[cyclopropyl(methoxy)methyl]-1,2,4-oxadiazol-5-yl]-3-phenylpropan-1-amine
CID 104983509
2-(3-butan-2-yl-1,2,4-oxadiazol-5-yl)-1-phenylpropan-1-amine
CID 104847428
1-(5-ethyl-1,2,4-oxadiazol-3-yl)-3-phenylpropan-1-amine
CID 62880091
(1R)-1-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]-3-phenylpropan-1-amine
CID 118879260
3-phenyl-1-[3-(propoxymethyl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 114917967
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
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-butan-2-yl-1,2,4-oxadiazol-5-yl)-2-methylpropan-1-amine
CID 63717020

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(3-butan-2-yl-1,2,4-oxadiazol-5-yl)-3-phenylpropan-1-amine?
The IUPAC name of (1S)-1-(3-butan-2-yl-1,2,4-oxadiazol-5-yl)-3-phenylpropan-1-amine (CID 104983451) is (1S)-1-(3-butan-2-yl-1,2,4-oxadiazol-5-yl)-3-phenylpropan-1-amine.
What is the SMILES notation for (1S)-1-(3-butan-2-yl-1,2,4-oxadiazol-5-yl)-3-phenylpropan-1-amine?
The canonical SMILES for (1S)-1-(3-butan-2-yl-1,2,4-oxadiazol-5-yl)-3-phenylpropan-1-amine is CCC(C)c1noc([C@@H](N)CCc2ccccc2)n1.
What is the InChIKey of (1S)-1-(3-butan-2-yl-1,2,4-oxadiazol-5-yl)-3-phenylpropan-1-amine?
The InChIKey is QCEVREYRDSAROQ-YUZLPWPTSA-N. The full InChI is InChI=1S/C15H21N3O/c1-3-11(2)14-17-15(19-18-14)13(16)10-9-12-7-5-4-6-8-12/h4-8,11,13H,3,9-10,16H2,1-2H3/t11?,13-/m0/s1.
What are the key properties of (1S)-1-(3-butan-2-yl-1,2,4-oxadiazol-5-yl)-3-phenylpropan-1-amine?
(1S)-1-(3-butan-2-yl-1,2,4-oxadiazol-5-yl)-3-phenylpropan-1-amine has a molecular weight of 259.35 g/mol, XLogP of 3.22, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(3-butan-2-yl-1,2,4-oxadiazol-5-yl)-3-phenylpropan-1-amine is sourced from PubChem (CID 104983451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).