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

C12H15N3O — CID 104983433

IUPAC(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)-3-phenylpropan-1-amine
SMILESCc1noc([C@@H](N)CCc2ccccc2)n1
InChIInChI=1S/C12H15N3O/c1-9-14-12(16-15-9)11(13)8-7-10-5-3-2-4-6-10/h2-6,11H,7-8,13H2,1H3/t11-/m0/s1
InChIKeyYVKJELXYCAWLCQ-NSHDSACASA-N
MW217.27 g/mol
LogP2.01
Rot. Bonds4

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

(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)-3-phenylpropan-1-amine (PubChem CID 104983433) has the molecular formula C12H15N3O and a molecular weight of 217.27 g/mol. Its IUPAC name is (1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)-3-phenylpropan-1-amine.

Molecular Properties

Compound Name(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)-3-phenylpropan-1-amine
PubChem CID104983433
Molecular FormulaC12H15N3O
Molecular Weight217.27 g/mol
Exact Mass217.12
IUPAC Name(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)-3-phenylpropan-1-amine
SMILESCc1noc([C@@H](N)CCc2ccccc2)n1
InChIInChI=1S/C12H15N3O/c1-9-14-12(16-15-9)11(13)8-7-10-5-3-2-4-6-10/h2-6,11H,7-8,13H2,1H3/t11-/m0/s1
InChIKeyYVKJELXYCAWLCQ-NSHDSACASA-N
XLogP2.01
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(1-amino-3-phenylpropyl)-N,N-dimethyl-1,2,4-oxadiazol-3-amine
CID 114918225
(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
1-[3-(2-methylfuran-3-yl)-1,2,4-oxadiazol-5-yl]-3-phenylpropan-1-amine
CID 114918169
1-[3-(cyclopropylmethyl)-1,2,4-oxadiazol-5-yl]-3-phenylpropan-1-amine
CID 114918109
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
3-phenyl-1-[3-(1,3-thiazol-4-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 114918110

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)-3-phenylpropan-1-amine?
The IUPAC name of (1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)-3-phenylpropan-1-amine (CID 104983433) is (1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)-3-phenylpropan-1-amine.
What is the SMILES notation for (1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)-3-phenylpropan-1-amine?
The canonical SMILES for (1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)-3-phenylpropan-1-amine is Cc1noc([C@@H](N)CCc2ccccc2)n1.
What is the InChIKey of (1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)-3-phenylpropan-1-amine?
The InChIKey is YVKJELXYCAWLCQ-NSHDSACASA-N. The full InChI is InChI=1S/C12H15N3O/c1-9-14-12(16-15-9)11(13)8-7-10-5-3-2-4-6-10/h2-6,11H,7-8,13H2,1H3/t11-/m0/s1.
What are the key properties of (1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)-3-phenylpropan-1-amine?
(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)-3-phenylpropan-1-amine has a molecular weight of 217.27 g/mol, XLogP of 2.01, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)-3-phenylpropan-1-amine is sourced from PubChem (CID 104983433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).