(R)-[3-(3-methoxypentan-3-yl)-1,2,4-oxadiazol-5-yl]-phenylmethanamine

C15H21N3O2 — CID 104898831

IUPAC(R)-[3-(3-methoxypentan-3-yl)-1,2,4-oxadiazol-5-yl]-phenylmethanamine
SMILESCCC(CC)(OC)c1noc([C@H](N)c2ccccc2)n1
InChIInChI=1S/C15H21N3O2/c1-4-15(5-2,19-3)14-17-13(20-18-14)12(16)11-9-7-6-8-10-11/h6-10,12H,4-5,16H2,1-3H3/t12-/m1/s1
InChIKeyNYEDZXWDRTWQBE-GFCCVEGCSA-N
MW275.35 g/mol
LogP2.78
Rot. Bonds6

About (R)-[3-(3-methoxypentan-3-yl)-1,2,4-oxadiazol-5-yl]-phenylmethanamine

(R)-[3-(3-methoxypentan-3-yl)-1,2,4-oxadiazol-5-yl]-phenylmethanamine (PubChem CID 104898831) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is (R)-[3-(3-methoxypentan-3-yl)-1,2,4-oxadiazol-5-yl]-phenylmethanamine.

Molecular Properties

Compound Name(R)-[3-(3-methoxypentan-3-yl)-1,2,4-oxadiazol-5-yl]-phenylmethanamine
PubChem CID104898831
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name(R)-[3-(3-methoxypentan-3-yl)-1,2,4-oxadiazol-5-yl]-phenylmethanamine
SMILESCCC(CC)(OC)c1noc([C@H](N)c2ccccc2)n1
InChIInChI=1S/C15H21N3O2/c1-4-15(5-2,19-3)14-17-13(20-18-14)12(16)11-9-7-6-8-10-11/h6-10,12H,4-5,16H2,1-3H3/t12-/m1/s1
InChIKeyNYEDZXWDRTWQBE-GFCCVEGCSA-N
XLogP2.78
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3-(3-methoxypentan-3-yl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-1-amine
CID 116741092
(1R)-1-[3-(3-methoxypentan-3-yl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 107565588
(3-ethyl-1,2,4-oxadiazol-5-yl)-phenylmethanamine;hydrochloride
CID 146064560
(1R)-1-[3-(3-methoxypentan-3-yl)-1,2,4-oxadiazol-5-yl]-3-methylsulfanylpropan-1-amine
CID 104909639
[3-(1-ethoxypropyl)-1,2,4-oxadiazol-5-yl]-phenylmethanamine
CID 116701976
(R)-[3-(2-methoxypropyl)-1,2,4-oxadiazol-5-yl]-phenylmethanamine
CID 104898781
ethyl 5-[(S)-amino(phenyl)methyl]-1,2,4-oxadiazole-3-carboxylate
CID 104898772
[3-(1-ethoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]-phenylmethanamine
CID 116703136
[3-(3-methoxypentan-3-yl)-1,2,4-oxadiazol-5-yl]methanamine
CID 116741094
1-[3-(3-methoxypentan-3-yl)-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 116741088
2-[3-(3-methoxypentan-3-yl)-1,2,4-oxadiazol-5-yl]pyridin-3-amine
CID 116741239
(R)-(3-benzyl-1,2,4-oxadiazol-5-yl)-phenylmethanamine
CID 29272835

Frequently Asked Questions

What is the IUPAC name of (R)-[3-(3-methoxypentan-3-yl)-1,2,4-oxadiazol-5-yl]-phenylmethanamine?
The IUPAC name of (R)-[3-(3-methoxypentan-3-yl)-1,2,4-oxadiazol-5-yl]-phenylmethanamine (CID 104898831) is (R)-[3-(3-methoxypentan-3-yl)-1,2,4-oxadiazol-5-yl]-phenylmethanamine.
What is the SMILES notation for (R)-[3-(3-methoxypentan-3-yl)-1,2,4-oxadiazol-5-yl]-phenylmethanamine?
The canonical SMILES for (R)-[3-(3-methoxypentan-3-yl)-1,2,4-oxadiazol-5-yl]-phenylmethanamine is CCC(CC)(OC)c1noc([C@H](N)c2ccccc2)n1.
What is the InChIKey of (R)-[3-(3-methoxypentan-3-yl)-1,2,4-oxadiazol-5-yl]-phenylmethanamine?
The InChIKey is NYEDZXWDRTWQBE-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-4-15(5-2,19-3)14-17-13(20-18-14)12(16)11-9-7-6-8-10-11/h6-10,12H,4-5,16H2,1-3H3/t12-/m1/s1.
What are the key properties of (R)-[3-(3-methoxypentan-3-yl)-1,2,4-oxadiazol-5-yl]-phenylmethanamine?
(R)-[3-(3-methoxypentan-3-yl)-1,2,4-oxadiazol-5-yl]-phenylmethanamine has a molecular weight of 275.35 g/mol, XLogP of 2.78, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-[3-(3-methoxypentan-3-yl)-1,2,4-oxadiazol-5-yl]-phenylmethanamine is sourced from PubChem (CID 104898831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).