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

C14H23N3O3 — CID 115440197

IUPAC[4-[3-(2-methyloxan-2-yl)-1,2,4-oxadiazol-5-yl]oxan-4-yl]methanamine
SMILESCC1(c2noc(C3(CN)CCOCC3)n2)CCCCO1
InChIInChI=1S/C14H23N3O3/c1-13(4-2-3-7-19-13)11-16-12(20-17-11)14(10-15)5-8-18-9-6-14/h2-10,15H2,1H3
InChIKeyXEPBLYUBEMGHKP-UHFFFAOYSA-N
MW281.36 g/mol
LogP1.49
Rot. Bonds3

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

[4-[3-(2-methyloxan-2-yl)-1,2,4-oxadiazol-5-yl]oxan-4-yl]methanamine (PubChem CID 115440197) has the molecular formula C14H23N3O3 and a molecular weight of 281.36 g/mol. Its IUPAC name is [4-[3-(2-methyloxan-2-yl)-1,2,4-oxadiazol-5-yl]oxan-4-yl]methanamine.

Molecular Properties

Compound Name[4-[3-(2-methyloxan-2-yl)-1,2,4-oxadiazol-5-yl]oxan-4-yl]methanamine
PubChem CID115440197
Molecular FormulaC14H23N3O3
Molecular Weight281.36 g/mol
Exact Mass281.17
IUPAC Name[4-[3-(2-methyloxan-2-yl)-1,2,4-oxadiazol-5-yl]oxan-4-yl]methanamine
SMILESCC1(c2noc(C3(CN)CCOCC3)n2)CCCCO1
InChIInChI=1S/C14H23N3O3/c1-13(4-2-3-7-19-13)11-16-12(20-17-11)14(10-15)5-8-18-9-6-14/h2-10,15H2,1H3
InChIKeyXEPBLYUBEMGHKP-UHFFFAOYSA-N
XLogP1.49
TPSA83.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [4-[3-(2-methyloxan-2-yl)-1,2,4-oxadiazol-5-yl]oxan-4-yl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-[3-(1-methoxycyclobutyl)-1,2,4-oxadiazol-5-yl]oxan-4-yl]methanamine
CID 116701465
4-methyl-4-[3-(2-methyloxan-2-yl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine
CID 80690241
(1R)-1-[3-(2-methyloxan-2-yl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 107565487
3-methyl-2-[3-(2-methyloxan-2-yl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 80689965
3-(2-methyloxan-2-yl)-5-(3-propan-2-ylpyrrolidin-3-yl)-1,2,4-oxadiazole
CID 106983445
3-methyl-1-[3-(2-methyloxan-2-yl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 80690086
3-[3-(2-methyloxolan-2-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
CID 106743556
5-ethyl-3-(2-methyloxolan-2-yl)-1,2,4-oxadiazole
CID 131065158
2-[3-(2-methyloxan-2-yl)-1,2,4-oxadiazol-5-yl]-2-phenylethanamine
CID 80683512
3-(2-methyloxan-2-yl)-N-propyl-1,2,4-oxadiazol-5-amine
CID 80681808
N-ethyl-1-[3-(2-methyloxan-2-yl)-1,2,4-oxadiazol-5-yl]pentan-2-amine
CID 80680961
[1-[3-(2-methylcyclopropyl)-1,2,4-oxadiazol-5-yl]cyclopentyl]methanamine
CID 115433782

Frequently Asked Questions

What is the IUPAC name of [4-[3-(2-methyloxan-2-yl)-1,2,4-oxadiazol-5-yl]oxan-4-yl]methanamine?
The IUPAC name of [4-[3-(2-methyloxan-2-yl)-1,2,4-oxadiazol-5-yl]oxan-4-yl]methanamine (CID 115440197) is [4-[3-(2-methyloxan-2-yl)-1,2,4-oxadiazol-5-yl]oxan-4-yl]methanamine.
What is the SMILES notation for [4-[3-(2-methyloxan-2-yl)-1,2,4-oxadiazol-5-yl]oxan-4-yl]methanamine?
The canonical SMILES for [4-[3-(2-methyloxan-2-yl)-1,2,4-oxadiazol-5-yl]oxan-4-yl]methanamine is CC1(c2noc(C3(CN)CCOCC3)n2)CCCCO1.
What is the InChIKey of [4-[3-(2-methyloxan-2-yl)-1,2,4-oxadiazol-5-yl]oxan-4-yl]methanamine?
The InChIKey is XEPBLYUBEMGHKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3/c1-13(4-2-3-7-19-13)11-16-12(20-17-11)14(10-15)5-8-18-9-6-14/h2-10,15H2,1H3.
What are the key properties of [4-[3-(2-methyloxan-2-yl)-1,2,4-oxadiazol-5-yl]oxan-4-yl]methanamine?
[4-[3-(2-methyloxan-2-yl)-1,2,4-oxadiazol-5-yl]oxan-4-yl]methanamine has a molecular weight of 281.36 g/mol, XLogP of 1.49, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[3-(2-methyloxan-2-yl)-1,2,4-oxadiazol-5-yl]oxan-4-yl]methanamine is sourced from PubChem (CID 115440197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).