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

C15H21N3O2 — CID 82847418

IUPAC5-[3-[(2-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]pentan-2-amine
SMILESCOc1ccccc1Cc1noc(CCCC(C)N)n1
InChIInChI=1S/C15H21N3O2/c1-11(16)6-5-9-15-17-14(18-20-15)10-12-7-3-4-8-13(12)19-2/h3-4,7-8,11H,5-6,9-10,16H2,1-2H3
InChIKeyMBLYNDFWGKXNBN-UHFFFAOYSA-N
MW275.35 g/mol
LogP2.34
Rot. Bonds7

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

5-[3-[(2-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]pentan-2-amine (PubChem CID 82847418) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 5-[3-[(2-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]pentan-2-amine.

Molecular Properties

Compound Name5-[3-[(2-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]pentan-2-amine
PubChem CID82847418
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name5-[3-[(2-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]pentan-2-amine
SMILESCOc1ccccc1Cc1noc(CCCC(C)N)n1
InChIInChI=1S/C15H21N3O2/c1-11(16)6-5-9-15-17-14(18-20-15)10-12-7-3-4-8-13(12)19-2/h3-4,7-8,11H,5-6,9-10,16H2,1-2H3
InChIKeyMBLYNDFWGKXNBN-UHFFFAOYSA-N
XLogP2.34
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3-[(2-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]-3-methylbutan-2-amine
CID 63350383
2-[5-[(2-methoxyphenyl)methyl]-1,2,4-oxadiazol-3-yl]ethanamine
CID 61334308
3-[(2-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-amine
CID 62470170
3-[3-[(2-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]-4-methylpentan-2-amine
CID 63350470
1-[3-[(2-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]-3-methylbutan-1-amine
CID 61264013
2-[5-[(2-methoxyphenyl)methyl]-1,2,4-oxadiazol-3-yl]ethanol
CID 115078940
5-[3-[(2-methylphenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]pentan-2-amine
CID 82845856
1-[5-[(2-methoxyphenyl)methyl]-1,2,4-oxadiazol-3-yl]ethanamine
CID 61324180
(1S)-1-[3-[(2-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]-2,2-dimethylpropan-1-amine
CID 104899370
5-[3-[(2-bromophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]pentan-2-amine
CID 82846779
4-[3-[(2-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]-1,2,5-oxadiazol-3-amine
CID 62808037
(2S)-2-amino-1-[5-[(2-methoxyphenyl)methyl]-1,2,4-oxadiazol-3-yl]-3-methylbutan-1-ol;hydrochloride
CID 67585921

Frequently Asked Questions

What is the IUPAC name of 5-[3-[(2-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]pentan-2-amine?
The IUPAC name of 5-[3-[(2-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]pentan-2-amine (CID 82847418) is 5-[3-[(2-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]pentan-2-amine.
What is the SMILES notation for 5-[3-[(2-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]pentan-2-amine?
The canonical SMILES for 5-[3-[(2-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]pentan-2-amine is COc1ccccc1Cc1noc(CCCC(C)N)n1.
What is the InChIKey of 5-[3-[(2-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]pentan-2-amine?
The InChIKey is MBLYNDFWGKXNBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-11(16)6-5-9-15-17-14(18-20-15)10-12-7-3-4-8-13(12)19-2/h3-4,7-8,11H,5-6,9-10,16H2,1-2H3.
What are the key properties of 5-[3-[(2-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]pentan-2-amine?
5-[3-[(2-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]pentan-2-amine has a molecular weight of 275.35 g/mol, XLogP of 2.34, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[(2-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]pentan-2-amine is sourced from PubChem (CID 82847418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).