[4-[3-(4-methoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]phenyl]methanamine

C15H19N3O3 — CID 116742170

IUPAC[4-[3-(4-methoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]phenyl]methanamine
SMILESCOC1(c2noc(-c3ccc(CN)cc3)n2)CCOCC1
InChIInChI=1S/C15H19N3O3/c1-19-15(6-8-20-9-7-15)14-17-13(21-18-14)12-4-2-11(10-16)3-5-12/h2-5H,6-10,16H2,1H3
InChIKeyZUPVEZFYVVSVHL-UHFFFAOYSA-N
MW289.33 g/mol
LogP1.85
Rot. Bonds4

About [4-[3-(4-methoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]phenyl]methanamine

[4-[3-(4-methoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]phenyl]methanamine (PubChem CID 116742170) has the molecular formula C15H19N3O3 and a molecular weight of 289.33 g/mol. Its IUPAC name is [4-[3-(4-methoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]phenyl]methanamine.

Molecular Properties

Compound Name[4-[3-(4-methoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]phenyl]methanamine
PubChem CID116742170
Molecular FormulaC15H19N3O3
Molecular Weight289.33 g/mol
Exact Mass289.14
IUPAC Name[4-[3-(4-methoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]phenyl]methanamine
SMILESCOC1(c2noc(-c3ccc(CN)cc3)n2)CCOCC1
InChIInChI=1S/C15H19N3O3/c1-19-15(6-8-20-9-7-15)14-17-13(21-18-14)12-4-2-11(10-16)3-5-12/h2-5H,6-10,16H2,1H3
InChIKeyZUPVEZFYVVSVHL-UHFFFAOYSA-N
XLogP1.85
TPSA83.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[3-(4-methoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]aniline
CID 116742192
4-[3-(4-methoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]benzene-1,2-diol
CID 136904541
2-chloro-5-[3-(4-methoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]aniline
CID 116741984
4-[3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-yl]aniline
CID 104609706
2-[3-(4-methoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]aniline
CID 116742047
[6-[3-(1-methoxycyclobutyl)-1,2,4-oxadiazol-5-yl]-3-pyridinyl]methanamine
CID 116701297
4-[3-(4-methoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]benzene-1,3-diol
CID 136904298
3-(4-methoxyoxan-4-yl)-1,2,4-oxadiazol-5-amine
CID 116742083
3-[3-(4-methoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]quinolin-7-ol
CID 146142994
5-[3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine
CID 104609683
2-bromo-5-[3-(1-methoxycyclobutyl)-1,2,4-oxadiazol-5-yl]aniline
CID 107813828
2-ethyl-2-[3-(4-methoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 116742037

Frequently Asked Questions

What is the IUPAC name of [4-[3-(4-methoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]phenyl]methanamine?
The IUPAC name of [4-[3-(4-methoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]phenyl]methanamine (CID 116742170) is [4-[3-(4-methoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]phenyl]methanamine.
What is the SMILES notation for [4-[3-(4-methoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]phenyl]methanamine?
The canonical SMILES for [4-[3-(4-methoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]phenyl]methanamine is COC1(c2noc(-c3ccc(CN)cc3)n2)CCOCC1.
What is the InChIKey of [4-[3-(4-methoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]phenyl]methanamine?
The InChIKey is ZUPVEZFYVVSVHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3/c1-19-15(6-8-20-9-7-15)14-17-13(21-18-14)12-4-2-11(10-16)3-5-12/h2-5H,6-10,16H2,1H3.
What are the key properties of [4-[3-(4-methoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]phenyl]methanamine?
[4-[3-(4-methoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]phenyl]methanamine has a molecular weight of 289.33 g/mol, XLogP of 1.85, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[3-(4-methoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]phenyl]methanamine is sourced from PubChem (CID 116742170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).