(1R)-1-[3-(2-phenylpropan-2-yl)-1,2,4-oxadiazol-5-yl]ethanamine

C13H17N3O — CID 104899768

IUPAC(1R)-1-[3-(2-phenylpropan-2-yl)-1,2,4-oxadiazol-5-yl]ethanamine
SMILESC[C@@H](N)c1nc(C(C)(C)c2ccccc2)no1
InChIInChI=1S/C13H17N3O/c1-9(14)11-15-12(16-17-11)13(2,3)10-7-5-4-6-8-10/h4-9H,14H2,1-3H3/t9-/m1/s1
InChIKeyDXCCQUIMVPATQZ-SECBINFHSA-N
MW231.30 g/mol
LogP2.42
Rot. Bonds3

About (1R)-1-[3-(2-phenylpropan-2-yl)-1,2,4-oxadiazol-5-yl]ethanamine

(1R)-1-[3-(2-phenylpropan-2-yl)-1,2,4-oxadiazol-5-yl]ethanamine (PubChem CID 104899768) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is (1R)-1-[3-(2-phenylpropan-2-yl)-1,2,4-oxadiazol-5-yl]ethanamine.

Molecular Properties

Compound Name(1R)-1-[3-(2-phenylpropan-2-yl)-1,2,4-oxadiazol-5-yl]ethanamine
PubChem CID104899768
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Name(1R)-1-[3-(2-phenylpropan-2-yl)-1,2,4-oxadiazol-5-yl]ethanamine
SMILESC[C@@H](N)c1nc(C(C)(C)c2ccccc2)no1
InChIInChI=1S/C13H17N3O/c1-9(14)11-15-12(16-17-11)13(2,3)10-7-5-4-6-8-10/h4-9H,14H2,1-3H3/t9-/m1/s1
InChIKeyDXCCQUIMVPATQZ-SECBINFHSA-N
XLogP2.42
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-2-[3-(2-phenylpropan-2-yl)-1,2,4-oxadiazol-5-yl]ethanol
CID 63084824
N-methyl-3-[3-(2-phenylpropan-2-yl)-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 63349946
N-(2-methylpropyl)-3-(2-phenylpropan-2-yl)-1,2,4-oxadiazol-5-amine
CID 63084528
2-methyl-2-[3-(2-phenylpropan-2-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 115428092
(1S)-1-[3-[2-(4-fluorophenyl)propan-2-yl]-1,2,4-oxadiazol-5-yl]-3-methylbutan-1-amine
CID 104904161
(1S)-1-[3-[2-(4-fluorophenyl)propan-2-yl]-1,2,4-oxadiazol-5-yl]-2-methylbutan-1-amine
CID 104900127
N,3-dimethyl-1-[3-(2-phenylpropan-2-yl)-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 63349856
cyclopropyl-[3-[2-(4-fluorophenyl)propan-2-yl]-1,2,4-oxadiazol-5-yl]methanamine
CID 64759558
(1S)-1-(3-benzhydryl-1,2,4-oxadiazol-5-yl)ethanamine
CID 103822421
3,3-dimethyl-1-[3-(2-phenylpropan-2-yl)-1,2,4-oxadiazol-5-yl]butan-2-ol
CID 63349675
5-(2-chloroethyl)-3-(2-phenylpropan-2-yl)-1,2,4-oxadiazole
CID 63084325
[1-[3-(2-phenylpropan-2-yl)-1,2,4-oxadiazol-5-yl]cyclopropyl]methanamine
CID 115450902

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[3-(2-phenylpropan-2-yl)-1,2,4-oxadiazol-5-yl]ethanamine?
The IUPAC name of (1R)-1-[3-(2-phenylpropan-2-yl)-1,2,4-oxadiazol-5-yl]ethanamine (CID 104899768) is (1R)-1-[3-(2-phenylpropan-2-yl)-1,2,4-oxadiazol-5-yl]ethanamine.
What is the SMILES notation for (1R)-1-[3-(2-phenylpropan-2-yl)-1,2,4-oxadiazol-5-yl]ethanamine?
The canonical SMILES for (1R)-1-[3-(2-phenylpropan-2-yl)-1,2,4-oxadiazol-5-yl]ethanamine is C[C@@H](N)c1nc(C(C)(C)c2ccccc2)no1.
What is the InChIKey of (1R)-1-[3-(2-phenylpropan-2-yl)-1,2,4-oxadiazol-5-yl]ethanamine?
The InChIKey is DXCCQUIMVPATQZ-SECBINFHSA-N. The full InChI is InChI=1S/C13H17N3O/c1-9(14)11-15-12(16-17-11)13(2,3)10-7-5-4-6-8-10/h4-9H,14H2,1-3H3/t9-/m1/s1.
What are the key properties of (1R)-1-[3-(2-phenylpropan-2-yl)-1,2,4-oxadiazol-5-yl]ethanamine?
(1R)-1-[3-(2-phenylpropan-2-yl)-1,2,4-oxadiazol-5-yl]ethanamine has a molecular weight of 231.30 g/mol, XLogP of 2.42, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[3-(2-phenylpropan-2-yl)-1,2,4-oxadiazol-5-yl]ethanamine is sourced from PubChem (CID 104899768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).