2-(cyclohexen-1-yl)-1-[3-[3-(3-methyl-1,2,4-oxadiazol-5-yl)morpholin-4-yl]azetidin-1-yl]ethanone

C18H26N4O3 — CID 154768266

IUPAC2-(cyclohexen-1-yl)-1-[3-[3-(3-methyl-1,2,4-oxadiazol-5-yl)morpholin-4-yl]azetidin-1-yl]ethanone
SMILESCc1noc(C2COCCN2C2CN(C(=O)CC3=CCCCC3)C2)n1
InChIInChI=1S/C18H26N4O3/c1-13-19-18(25-20-13)16-12-24-8-7-22(16)15-10-21(11-15)17(23)9-14-5-3-2-4-6-14/h5,15-16H,2-4,6-12H2,1H3
InChIKeyFIBASIGGIPPTHW-UHFFFAOYSA-N
MW346.43 g/mol
LogP1.85
Rot. Bonds4

About 2-(cyclohexen-1-yl)-1-[3-[3-(3-methyl-1,2,4-oxadiazol-5-yl)morpholin-4-yl]azetidin-1-yl]ethanone

2-(cyclohexen-1-yl)-1-[3-[3-(3-methyl-1,2,4-oxadiazol-5-yl)morpholin-4-yl]azetidin-1-yl]ethanone (PubChem CID 154768266) has the molecular formula C18H26N4O3 and a molecular weight of 346.43 g/mol. Its IUPAC name is 2-(cyclohexen-1-yl)-1-[3-[3-(3-methyl-1,2,4-oxadiazol-5-yl)morpholin-4-yl]azetidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(cyclohexen-1-yl)-1-[3-[3-(3-methyl-1,2,4-oxadiazol-5-yl)morpholin-4-yl]azetidin-1-yl]ethanone
PubChem CID154768266
Molecular FormulaC18H26N4O3
Molecular Weight346.43 g/mol
Exact Mass346.20
IUPAC Name2-(cyclohexen-1-yl)-1-[3-[3-(3-methyl-1,2,4-oxadiazol-5-yl)morpholin-4-yl]azetidin-1-yl]ethanone
SMILESCc1noc(C2COCCN2C2CN(C(=O)CC3=CCCCC3)C2)n1
InChIInChI=1S/C18H26N4O3/c1-13-19-18(25-20-13)16-12-24-8-7-22(16)15-10-21(11-15)17(23)9-14-5-3-2-4-6-14/h5,15-16H,2-4,6-12H2,1H3
InChIKeyFIBASIGGIPPTHW-UHFFFAOYSA-N
XLogP1.85
TPSA71.70 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-[(3aS,6aS)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl]-2-(cyclohexen-1-yl)ethanone
CID 124807235
2-(cyclohexen-1-yl)-1-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]ethanone
CID 56788449
3-[1-[2-(cyclohexen-1-yl)acetyl]piperidin-3-yl]-1-morpholin-4-ylpropan-1-one
CID 45229164
2-(2-hydroxyphenyl)-1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]ethanone
CID 146091266
2-(cyclohexen-1-yl)-1-[5-(methoxymethyl)-3-oxa-9-azaspiro[5.5]undecan-9-yl]ethanone
CID 118738872
N-(3,5-dimethylphenyl)-2-[(3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)morpholin-4-yl]acetamide
CID 99777442
2-(cyclohexen-1-yl)-1-[5-(ethoxymethyl)-3-oxa-9-azaspiro[5.5]undecan-9-yl]ethanone
CID 118738883
2-(cyclohexen-1-yl)-1-(4-hydroxy-4-methylpiperidin-1-yl)ethanone
CID 80707162
2-(2,3-dihydro-1H-inden-5-yl)-1-[(3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethanone
CID 94526775
1-[(3aR,7R,7aR)-7-(3-methyl-1,2,4-oxadiazol-5-yl)-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrol-2-yl]-2-(4-fluorophenyl)ethanone
CID 97364641
1-[3-(aminomethyl)pyrrolidin-1-yl]-2-(cyclohexen-1-yl)ethanone
CID 63563096
2-(2-methyl-1H-imidazol-5-yl)-1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]ethanone
CID 155961517

Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexen-1-yl)-1-[3-[3-(3-methyl-1,2,4-oxadiazol-5-yl)morpholin-4-yl]azetidin-1-yl]ethanone?
The IUPAC name of 2-(cyclohexen-1-yl)-1-[3-[3-(3-methyl-1,2,4-oxadiazol-5-yl)morpholin-4-yl]azetidin-1-yl]ethanone (CID 154768266) is 2-(cyclohexen-1-yl)-1-[3-[3-(3-methyl-1,2,4-oxadiazol-5-yl)morpholin-4-yl]azetidin-1-yl]ethanone.
What is the SMILES notation for 2-(cyclohexen-1-yl)-1-[3-[3-(3-methyl-1,2,4-oxadiazol-5-yl)morpholin-4-yl]azetidin-1-yl]ethanone?
The canonical SMILES for 2-(cyclohexen-1-yl)-1-[3-[3-(3-methyl-1,2,4-oxadiazol-5-yl)morpholin-4-yl]azetidin-1-yl]ethanone is Cc1noc(C2COCCN2C2CN(C(=O)CC3=CCCCC3)C2)n1.
What is the InChIKey of 2-(cyclohexen-1-yl)-1-[3-[3-(3-methyl-1,2,4-oxadiazol-5-yl)morpholin-4-yl]azetidin-1-yl]ethanone?
The InChIKey is FIBASIGGIPPTHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O3/c1-13-19-18(25-20-13)16-12-24-8-7-22(16)15-10-21(11-15)17(23)9-14-5-3-2-4-6-14/h5,15-16H,2-4,6-12H2,1H3.
What are the key properties of 2-(cyclohexen-1-yl)-1-[3-[3-(3-methyl-1,2,4-oxadiazol-5-yl)morpholin-4-yl]azetidin-1-yl]ethanone?
2-(cyclohexen-1-yl)-1-[3-[3-(3-methyl-1,2,4-oxadiazol-5-yl)morpholin-4-yl]azetidin-1-yl]ethanone has a molecular weight of 346.43 g/mol, XLogP of 1.85, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexen-1-yl)-1-[3-[3-(3-methyl-1,2,4-oxadiazol-5-yl)morpholin-4-yl]azetidin-1-yl]ethanone is sourced from PubChem (CID 154768266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).