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

C14H17N3O3 — CID 117440122

IUPAC[3-[3-(oxan-4-yloxy)phenyl]-1,2,4-oxadiazol-5-yl]methanamine
SMILESNCc1nc(-c2cccc(OC3CCOCC3)c2)no1
InChIInChI=1S/C14H17N3O3/c15-9-13-16-14(17-20-13)10-2-1-3-12(8-10)19-11-4-6-18-7-5-11/h1-3,8,11H,4-7,9,15H2
InChIKeyYWFIAKZIUVKAFI-UHFFFAOYSA-N
MW275.31 g/mol
LogP1.75
Rot. Bonds4

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

[3-[3-(oxan-4-yloxy)phenyl]-1,2,4-oxadiazol-5-yl]methanamine (PubChem CID 117440122) has the molecular formula C14H17N3O3 and a molecular weight of 275.31 g/mol. Its IUPAC name is [3-[3-(oxan-4-yloxy)phenyl]-1,2,4-oxadiazol-5-yl]methanamine.

Molecular Properties

Compound Name[3-[3-(oxan-4-yloxy)phenyl]-1,2,4-oxadiazol-5-yl]methanamine
PubChem CID117440122
Molecular FormulaC14H17N3O3
Molecular Weight275.31 g/mol
Exact Mass275.13
IUPAC Name[3-[3-(oxan-4-yloxy)phenyl]-1,2,4-oxadiazol-5-yl]methanamine
SMILESNCc1nc(-c2cccc(OC3CCOCC3)c2)no1
InChIInChI=1S/C14H17N3O3/c15-9-13-16-14(17-20-13)10-2-1-3-12(8-10)19-11-4-6-18-7-5-11/h1-3,8,11H,4-7,9,15H2
InChIKeyYWFIAKZIUVKAFI-UHFFFAOYSA-N
XLogP1.75
TPSA83.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[3-(3-cyclobutyloxyphenyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 117364923
[3-[3-(1-methylpiperidin-3-yl)oxyphenyl]-1,2,4-oxadiazol-5-yl]methanamine
CID 117465934
[3-(3-propan-2-yloxyphenyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 43839720
[3-(3-cyclobutylphenyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 117330765
[3-[3-(morpholin-4-ylmethyl)phenyl]-1,2,4-oxadiazol-5-yl]methanamine
CID 117438451
2-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-amine
CID 106483329
[3-[3-(methoxymethyl)phenyl]-1,2,4-oxadiazol-5-yl]methanamine
CID 117312143
2-[3-(3-phenoxyphenyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 23008142
3-[3-(oxolan-3-yloxy)phenyl]-1,2-oxazol-5-amine
CID 117367639
3-(oxan-4-yloxy)benzenecarbothioamide
CID 63936632
5-(2-cyclopentylethyl)-3-(3-methoxyphenyl)-1,2,4-oxadiazole
CID 8895516
[3-[3-[1-(methoxymethyl)cyclopropyl]phenyl]-1,2,4-oxadiazol-5-yl]methanamine
CID 115112723

Frequently Asked Questions

What is the IUPAC name of [3-[3-(oxan-4-yloxy)phenyl]-1,2,4-oxadiazol-5-yl]methanamine?
The IUPAC name of [3-[3-(oxan-4-yloxy)phenyl]-1,2,4-oxadiazol-5-yl]methanamine (CID 117440122) is [3-[3-(oxan-4-yloxy)phenyl]-1,2,4-oxadiazol-5-yl]methanamine.
What is the SMILES notation for [3-[3-(oxan-4-yloxy)phenyl]-1,2,4-oxadiazol-5-yl]methanamine?
The canonical SMILES for [3-[3-(oxan-4-yloxy)phenyl]-1,2,4-oxadiazol-5-yl]methanamine is NCc1nc(-c2cccc(OC3CCOCC3)c2)no1.
What is the InChIKey of [3-[3-(oxan-4-yloxy)phenyl]-1,2,4-oxadiazol-5-yl]methanamine?
The InChIKey is YWFIAKZIUVKAFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3/c15-9-13-16-14(17-20-13)10-2-1-3-12(8-10)19-11-4-6-18-7-5-11/h1-3,8,11H,4-7,9,15H2.
What are the key properties of [3-[3-(oxan-4-yloxy)phenyl]-1,2,4-oxadiazol-5-yl]methanamine?
[3-[3-(oxan-4-yloxy)phenyl]-1,2,4-oxadiazol-5-yl]methanamine has a molecular weight of 275.31 g/mol, XLogP of 1.75, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[3-(oxan-4-yloxy)phenyl]-1,2,4-oxadiazol-5-yl]methanamine is sourced from PubChem (CID 117440122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).