2-[3-(azepan-1-yl)-1,2,4-oxadiazol-5-yl]morpholine

C12H20N4O2 — CID 116807932

IUPAC2-[3-(azepan-1-yl)-1,2,4-oxadiazol-5-yl]morpholine
SMILESC1CCCN(c2noc(C3CNCCO3)n2)CC1
InChIInChI=1S/C12H20N4O2/c1-2-4-7-16(6-3-1)12-14-11(18-15-12)10-9-13-5-8-17-10/h10,13H,1-9H2
InChIKeyXISHFWZIAIDCGY-UHFFFAOYSA-N
MW252.32 g/mol
LogP1.11
Rot. Bonds2

About 2-[3-(azepan-1-yl)-1,2,4-oxadiazol-5-yl]morpholine

2-[3-(azepan-1-yl)-1,2,4-oxadiazol-5-yl]morpholine (PubChem CID 116807932) has the molecular formula C12H20N4O2 and a molecular weight of 252.32 g/mol. Its IUPAC name is 2-[3-(azepan-1-yl)-1,2,4-oxadiazol-5-yl]morpholine.

Molecular Properties

Compound Name2-[3-(azepan-1-yl)-1,2,4-oxadiazol-5-yl]morpholine
PubChem CID116807932
Molecular FormulaC12H20N4O2
Molecular Weight252.32 g/mol
Exact Mass252.16
IUPAC Name2-[3-(azepan-1-yl)-1,2,4-oxadiazol-5-yl]morpholine
SMILESC1CCCN(c2noc(C3CNCCO3)n2)CC1
InChIInChI=1S/C12H20N4O2/c1-2-4-7-16(6-3-1)12-14-11(18-15-12)10-9-13-5-8-17-10/h10,13H,1-9H2
InChIKeyXISHFWZIAIDCGY-UHFFFAOYSA-N
XLogP1.11
TPSA63.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[5-[(2R)-morpholin-2-yl]-1,2,4-oxadiazol-3-yl]ethanamine;hydrochloride
CID 130683849
3-piperidin-1-yl-5-[(2S)-piperidin-2-yl]-1,2,4-oxadiazole
CID 104915206
2-(5-cyclooctyl-1,2,4-oxadiazol-3-yl)morpholine
CID 103972025
(2S)-2-[3-(2,6-dichlorophenyl)-1,2,4-oxadiazol-5-yl]morpholine
CID 120836734
2-[3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-yl]morpholine
CID 104609675
(2S)-2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]morpholine
CID 120833777
3-(azepan-1-yl)-5-thiomorpholin-3-yl-1,2,4-oxadiazole
CID 116808059
3-(azepan-1-yl)-5-(2-methylpiperidin-4-yl)-1,2,4-oxadiazole
CID 106743714
(2S)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)morpholine;hydrochloride
CID 120835102
N-cyclohexyl-2-[5-[(2S)-morpholin-2-yl]-1,2,4-oxadiazol-3-yl]acetamide
CID 120835213
(2S)-2-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]morpholine;hydrochloride
CID 120833718
4-(5-morpholin-2-yl-1,2,4-oxadiazol-3-yl)phenol
CID 135991810

Frequently Asked Questions

What is the IUPAC name of 2-[3-(azepan-1-yl)-1,2,4-oxadiazol-5-yl]morpholine?
The IUPAC name of 2-[3-(azepan-1-yl)-1,2,4-oxadiazol-5-yl]morpholine (CID 116807932) is 2-[3-(azepan-1-yl)-1,2,4-oxadiazol-5-yl]morpholine.
What is the SMILES notation for 2-[3-(azepan-1-yl)-1,2,4-oxadiazol-5-yl]morpholine?
The canonical SMILES for 2-[3-(azepan-1-yl)-1,2,4-oxadiazol-5-yl]morpholine is C1CCCN(c2noc(C3CNCCO3)n2)CC1.
What is the InChIKey of 2-[3-(azepan-1-yl)-1,2,4-oxadiazol-5-yl]morpholine?
The InChIKey is XISHFWZIAIDCGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2/c1-2-4-7-16(6-3-1)12-14-11(18-15-12)10-9-13-5-8-17-10/h10,13H,1-9H2.
What are the key properties of 2-[3-(azepan-1-yl)-1,2,4-oxadiazol-5-yl]morpholine?
2-[3-(azepan-1-yl)-1,2,4-oxadiazol-5-yl]morpholine has a molecular weight of 252.32 g/mol, XLogP of 1.11, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(azepan-1-yl)-1,2,4-oxadiazol-5-yl]morpholine is sourced from PubChem (CID 116807932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).