2-(azocan-1-yl)-N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide

C14H24N4O3 — CID 122556066

IUPAC2-(azocan-1-yl)-N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide
SMILESCOCc1noc(CNC(=O)CN2CCCCCCC2)n1
InChIInChI=1S/C14H24N4O3/c1-20-11-12-16-14(21-17-12)9-15-13(19)10-18-7-5-3-2-4-6-8-18/h2-11H2,1H3,(H,15,19)
InChIKeyNCUONHQSSDQFNL-UHFFFAOYSA-N
MW296.37 g/mol
LogP1.10
Rot. Bonds6

About 2-(azocan-1-yl)-N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide

2-(azocan-1-yl)-N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide (PubChem CID 122556066) has the molecular formula C14H24N4O3 and a molecular weight of 296.37 g/mol. Its IUPAC name is 2-(azocan-1-yl)-N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide.

Molecular Properties

Compound Name2-(azocan-1-yl)-N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide
PubChem CID122556066
Molecular FormulaC14H24N4O3
Molecular Weight296.37 g/mol
Exact Mass296.18
IUPAC Name2-(azocan-1-yl)-N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide
SMILESCOCc1noc(CNC(=O)CN2CCCCCCC2)n1
InChIInChI=1S/C14H24N4O3/c1-20-11-12-16-14(21-17-12)9-15-13(19)10-18-7-5-3-2-4-6-8-18/h2-11H2,1H3,(H,15,19)
InChIKeyNCUONHQSSDQFNL-UHFFFAOYSA-N
XLogP1.10
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-4-(piperidin-1-ylmethyl)benzamide
CID 72932689
5-[[[2-(azepan-1-yl)acetyl]amino]methyl]-1,2,4-oxadiazole-3-carboxamide
CID 91771005
4-acetyl-N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]piperazine-1-carboxamide
CID 122560318
N-ethyl-N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-2-pyrrolidin-1-ylacetamide
CID 91787669
2-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-N-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]acetamide
CID 124680094
N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2-piperazin-1-ylacetamide
CID 61014230
N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(4-oxoquinolin-1-yl)acetamide
CID 91770853
1-cyclohexyl-N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]methanamine
CID 68997154
N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(3-piperidin-3-ylpyrazol-1-yl)acetamide;hydrochloride
CID 154906711
N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-2-methyl-2-pyrrol-1-ylpropanamide
CID 122558648
N-[[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(2-oxoazepan-1-yl)acetamide
CID 118773656
2,5-dichloro-N-[2-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methylamino]-2-oxoethyl]benzamide
CID 91833337

Frequently Asked Questions

What is the IUPAC name of 2-(azocan-1-yl)-N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide?
The IUPAC name of 2-(azocan-1-yl)-N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide (CID 122556066) is 2-(azocan-1-yl)-N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide.
What is the SMILES notation for 2-(azocan-1-yl)-N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide?
The canonical SMILES for 2-(azocan-1-yl)-N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide is COCc1noc(CNC(=O)CN2CCCCCCC2)n1.
What is the InChIKey of 2-(azocan-1-yl)-N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide?
The InChIKey is NCUONHQSSDQFNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O3/c1-20-11-12-16-14(21-17-12)9-15-13(19)10-18-7-5-3-2-4-6-8-18/h2-11H2,1H3,(H,15,19).
What are the key properties of 2-(azocan-1-yl)-N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide?
2-(azocan-1-yl)-N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide has a molecular weight of 296.37 g/mol, XLogP of 1.10, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azocan-1-yl)-N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide is sourced from PubChem (CID 122556066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).