3-(5-heptan-4-yl-1,2,4-oxadiazol-3-yl)morpholine

C13H23N3O2 — CID 103971571

IUPAC3-(5-heptan-4-yl-1,2,4-oxadiazol-3-yl)morpholine
SMILESCCCC(CCC)c1nc(C2COCCN2)no1
InChIInChI=1S/C13H23N3O2/c1-3-5-10(6-4-2)13-15-12(16-18-13)11-9-17-8-7-14-11/h10-11,14H,3-9H2,1-2H3
InChIKeyHQWZRYRVVJOZEN-UHFFFAOYSA-N
MW253.35 g/mol
LogP2.41
Rot. Bonds6

About 3-(5-heptan-4-yl-1,2,4-oxadiazol-3-yl)morpholine

3-(5-heptan-4-yl-1,2,4-oxadiazol-3-yl)morpholine (PubChem CID 103971571) has the molecular formula C13H23N3O2 and a molecular weight of 253.35 g/mol. Its IUPAC name is 3-(5-heptan-4-yl-1,2,4-oxadiazol-3-yl)morpholine.

Molecular Properties

Compound Name3-(5-heptan-4-yl-1,2,4-oxadiazol-3-yl)morpholine
PubChem CID103971571
Molecular FormulaC13H23N3O2
Molecular Weight253.35 g/mol
Exact Mass253.18
IUPAC Name3-(5-heptan-4-yl-1,2,4-oxadiazol-3-yl)morpholine
SMILESCCCC(CCC)c1nc(C2COCCN2)no1
InChIInChI=1S/C13H23N3O2/c1-3-5-10(6-4-2)13-15-12(16-18-13)11-9-17-8-7-14-11/h10-11,14H,3-9H2,1-2H3
InChIKeyHQWZRYRVVJOZEN-UHFFFAOYSA-N
XLogP2.41
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(5-methyl-1,2,4-oxadiazol-3-yl)morpholine
CID 75355392
3-[5-(ethoxymethyl)-1,2,4-oxadiazol-3-yl]morpholine
CID 103971477
5-pentan-3-yl-3-piperidin-2-yl-1,2,4-oxadiazole
CID 60916536
3-[5-(4-ethoxyphenyl)-1,2,4-oxadiazol-3-yl]morpholine;hydrochloride
CID 75484039
3-[3-(1-methoxybutyl)-1,2,4-oxadiazol-5-yl]morpholine
CID 116702661
(2S)-2-[[(1S)-3-carboxy-1-(3-morpholin-3-yl-1,2,4-oxadiazol-5-yl)propyl]carbamoylamino]-3-oxobutanoic acid
CID 142578358
3-[5-(oxolan-3-yl)-1,2,4-oxadiazol-3-yl]morpholine
CID 103971742
(3S)-3-[5-(cycloheptylmethyl)-1,2,4-oxadiazol-3-yl]morpholine
CID 97345709
3-(5-pyrazin-2-yl-1,2,4-oxadiazol-3-yl)morpholine
CID 103971687
3-[5-(3-ethyl-6-methylpyridazin-4-yl)-1,2,4-oxadiazol-3-yl]morpholine
CID 104672077
3-[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]morpholine
CID 113360104
3-[5-(4-tert-butylcyclohexyl)-1,2,4-oxadiazol-3-yl]morpholine
CID 103971647

Frequently Asked Questions

What is the IUPAC name of 3-(5-heptan-4-yl-1,2,4-oxadiazol-3-yl)morpholine?
The IUPAC name of 3-(5-heptan-4-yl-1,2,4-oxadiazol-3-yl)morpholine (CID 103971571) is 3-(5-heptan-4-yl-1,2,4-oxadiazol-3-yl)morpholine.
What is the SMILES notation for 3-(5-heptan-4-yl-1,2,4-oxadiazol-3-yl)morpholine?
The canonical SMILES for 3-(5-heptan-4-yl-1,2,4-oxadiazol-3-yl)morpholine is CCCC(CCC)c1nc(C2COCCN2)no1.
What is the InChIKey of 3-(5-heptan-4-yl-1,2,4-oxadiazol-3-yl)morpholine?
The InChIKey is HQWZRYRVVJOZEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2/c1-3-5-10(6-4-2)13-15-12(16-18-13)11-9-17-8-7-14-11/h10-11,14H,3-9H2,1-2H3.
What are the key properties of 3-(5-heptan-4-yl-1,2,4-oxadiazol-3-yl)morpholine?
3-(5-heptan-4-yl-1,2,4-oxadiazol-3-yl)morpholine has a molecular weight of 253.35 g/mol, XLogP of 2.41, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-heptan-4-yl-1,2,4-oxadiazol-3-yl)morpholine is sourced from PubChem (CID 103971571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).