3-[3-[(2-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]-4-methylpentan-2-amine

C16H23N3O2 — CID 63350470

IUPAC3-[3-[(2-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]-4-methylpentan-2-amine
SMILESCOc1ccccc1Cc1noc(C(C(C)C)C(C)N)n1
InChIInChI=1S/C16H23N3O2/c1-10(2)15(11(3)17)16-18-14(19-21-16)9-12-7-5-6-8-13(12)20-4/h5-8,10-11,15H,9,17H2,1-4H3
InChIKeyXUQLBCBUCSIKJF-UHFFFAOYSA-N
MW289.38 g/mol
LogP2.76
Rot. Bonds6

About 3-[3-[(2-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]-4-methylpentan-2-amine

3-[3-[(2-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]-4-methylpentan-2-amine (PubChem CID 63350470) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 3-[3-[(2-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]-4-methylpentan-2-amine.

Molecular Properties

Compound Name3-[3-[(2-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]-4-methylpentan-2-amine
PubChem CID63350470
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name3-[3-[(2-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]-4-methylpentan-2-amine
SMILESCOc1ccccc1Cc1noc(C(C(C)C)C(C)N)n1
InChIInChI=1S/C16H23N3O2/c1-10(2)15(11(3)17)16-18-14(19-21-16)9-12-7-5-6-8-13(12)20-4/h5-8,10-11,15H,9,17H2,1-4H3
InChIKeyXUQLBCBUCSIKJF-UHFFFAOYSA-N
XLogP2.76
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(1S)-1-[3-[(2-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]-2,2-dimethylpropan-1-amine
CID 104899370
1-[3-[(2-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]-3-methylbutan-1-amine
CID 61264013
1-[3-[(2-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]-3-methylbutan-2-amine
CID 63350383
3-[3-[(3-chloro-2-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-4-methylpentan-2-amine
CID 82792741
3-[(2-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-amine
CID 62470170
5-[3-[(2-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]pentan-2-amine
CID 82847418
4-[3-[(2-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]-1,2,5-oxadiazol-3-amine
CID 62808037
1-[3-[(2-bromophenyl)methyl]-1,2,4-oxadiazol-5-yl]-2-methylpropan-1-amine
CID 62828439
2-[3-[(2-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]aniline
CID 61261410
3-[3-[(3,4-dichlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-4-methylpentan-2-amine
CID 63350906
(1R)-N-[(2-methoxyphenyl)methyl]-N-methyl-1-(3-propyl-1,2,4-oxadiazol-5-yl)ethanamine
CID 95282474
1-[5-[(2-methoxyphenyl)methyl]-1,2,4-oxadiazol-3-yl]ethanamine
CID 61324180

Frequently Asked Questions

What is the IUPAC name of 3-[3-[(2-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]-4-methylpentan-2-amine?
The IUPAC name of 3-[3-[(2-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]-4-methylpentan-2-amine (CID 63350470) is 3-[3-[(2-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]-4-methylpentan-2-amine.
What is the SMILES notation for 3-[3-[(2-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]-4-methylpentan-2-amine?
The canonical SMILES for 3-[3-[(2-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]-4-methylpentan-2-amine is COc1ccccc1Cc1noc(C(C(C)C)C(C)N)n1.
What is the InChIKey of 3-[3-[(2-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]-4-methylpentan-2-amine?
The InChIKey is XUQLBCBUCSIKJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-10(2)15(11(3)17)16-18-14(19-21-16)9-12-7-5-6-8-13(12)20-4/h5-8,10-11,15H,9,17H2,1-4H3.
What are the key properties of 3-[3-[(2-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]-4-methylpentan-2-amine?
3-[3-[(2-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]-4-methylpentan-2-amine has a molecular weight of 289.38 g/mol, XLogP of 2.76, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[(2-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]-4-methylpentan-2-amine is sourced from PubChem (CID 63350470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).