3-(4-methoxyoxan-4-yl)-1,2,4-oxadiazol-5-amine

C8H13N3O3 — CID 116742083

IUPAC3-(4-methoxyoxan-4-yl)-1,2,4-oxadiazol-5-amine
SMILESCOC1(c2noc(N)n2)CCOCC1
InChIInChI=1S/C8H13N3O3/c1-12-8(2-4-13-5-3-8)6-10-7(9)14-11-6/h2-5H2,1H3,(H2,9,10,11)
InChIKeyXFFRFDKMHNKZIT-UHFFFAOYSA-N
MW199.21 g/mol
LogP0.30
Rot. Bonds2

About 3-(4-methoxyoxan-4-yl)-1,2,4-oxadiazol-5-amine

3-(4-methoxyoxan-4-yl)-1,2,4-oxadiazol-5-amine (PubChem CID 116742083) has the molecular formula C8H13N3O3 and a molecular weight of 199.21 g/mol. Its IUPAC name is 3-(4-methoxyoxan-4-yl)-1,2,4-oxadiazol-5-amine.

Molecular Properties

Compound Name3-(4-methoxyoxan-4-yl)-1,2,4-oxadiazol-5-amine
PubChem CID116742083
Molecular FormulaC8H13N3O3
Molecular Weight199.21 g/mol
Exact Mass199.10
IUPAC Name3-(4-methoxyoxan-4-yl)-1,2,4-oxadiazol-5-amine
SMILESCOC1(c2noc(N)n2)CCOCC1
InChIInChI=1S/C8H13N3O3/c1-12-8(2-4-13-5-3-8)6-10-7(9)14-11-6/h2-5H2,1H3,(H2,9,10,11)
InChIKeyXFFRFDKMHNKZIT-UHFFFAOYSA-N
XLogP0.30
TPSA83.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.21
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-amine
CID 104609719
3-(1-methoxy-4-methylcyclohexyl)-1,2,4-oxadiazol-5-amine
CID 116742455
(1S)-1-[3-(4-methoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 104899927
4-[3-(4-methoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]aniline
CID 116742192
(1S)-1-[3-(4-methoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-1-amine
CID 104901861
5-(1-chloroethyl)-3-(4-methoxyoxan-4-yl)-1,2,4-oxadiazole
CID 116740050
2-[3-(4-methoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]aniline
CID 116742047
1-[[3-(4-methoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]methyl]cyclobutan-1-amine
CID 116742003
(1R)-1-[3-(4-methoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 104915552
1-[3-(4-methoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 116742107
4-[3-(4-methoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]-3-methyl-1,2-thiazol-5-amine
CID 116742002
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 3-(4-methoxyoxan-4-yl)-1,2,4-oxadiazol-5-amine?
The IUPAC name of 3-(4-methoxyoxan-4-yl)-1,2,4-oxadiazol-5-amine (CID 116742083) is 3-(4-methoxyoxan-4-yl)-1,2,4-oxadiazol-5-amine.
What is the SMILES notation for 3-(4-methoxyoxan-4-yl)-1,2,4-oxadiazol-5-amine?
The canonical SMILES for 3-(4-methoxyoxan-4-yl)-1,2,4-oxadiazol-5-amine is COC1(c2noc(N)n2)CCOCC1.
What is the InChIKey of 3-(4-methoxyoxan-4-yl)-1,2,4-oxadiazol-5-amine?
The InChIKey is XFFRFDKMHNKZIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O3/c1-12-8(2-4-13-5-3-8)6-10-7(9)14-11-6/h2-5H2,1H3,(H2,9,10,11).
What are the key properties of 3-(4-methoxyoxan-4-yl)-1,2,4-oxadiazol-5-amine?
3-(4-methoxyoxan-4-yl)-1,2,4-oxadiazol-5-amine has a molecular weight of 199.21 g/mol, XLogP of 0.30, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyoxan-4-yl)-1,2,4-oxadiazol-5-amine is sourced from PubChem (CID 116742083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).