1-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)-1,4-diazepan-1-yl]-2-(2-methoxyphenyl)ethanone

C18H24N4O3 — CID 138379026

IUPAC1-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)-1,4-diazepan-1-yl]-2-(2-methoxyphenyl)ethanone
SMILESCCc1nc(N2CCCN(C(=O)Cc3ccccc3OC)CC2)no1
InChIInChI=1S/C18H24N4O3/c1-3-16-19-18(20-25-16)22-10-6-9-21(11-12-22)17(23)13-14-7-4-5-8-15(14)24-2/h4-5,7-8H,3,6,9-13H2,1-2H3
InChIKeyZJWGKCPWDNSRKN-UHFFFAOYSA-N
MW344.42 g/mol
LogP1.92
Rot. Bonds5

About 1-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)-1,4-diazepan-1-yl]-2-(2-methoxyphenyl)ethanone

1-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)-1,4-diazepan-1-yl]-2-(2-methoxyphenyl)ethanone (PubChem CID 138379026) has the molecular formula C18H24N4O3 and a molecular weight of 344.42 g/mol. Its IUPAC name is 1-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)-1,4-diazepan-1-yl]-2-(2-methoxyphenyl)ethanone.

Molecular Properties

Compound Name1-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)-1,4-diazepan-1-yl]-2-(2-methoxyphenyl)ethanone
PubChem CID138379026
Molecular FormulaC18H24N4O3
Molecular Weight344.42 g/mol
Exact Mass344.18
IUPAC Name1-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)-1,4-diazepan-1-yl]-2-(2-methoxyphenyl)ethanone
SMILESCCc1nc(N2CCCN(C(=O)Cc3ccccc3OC)CC2)no1
InChIInChI=1S/C18H24N4O3/c1-3-16-19-18(20-25-16)22-10-6-9-21(11-12-22)17(23)13-14-7-4-5-8-15(14)24-2/h4-5,7-8H,3,6,9-13H2,1-2H3
InChIKeyZJWGKCPWDNSRKN-UHFFFAOYSA-N
XLogP1.92
TPSA71.70 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)-1,4-diazepan-1-yl]-2-(2-methoxyphenyl)ethanone with MolForge

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Related Compounds

2-(2-methoxyphenyl)-1-(4-pyrazin-2-yl-1,4-diazepan-1-yl)ethanone
CID 138385444
2-(2-methoxyphenyl)-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone
CID 6466814
ethyl 4-[2-(2-methoxyphenyl)acetyl]piperazine-1-carboxylate
CID 694651
2-(2-methoxyphenyl)-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 762691
1-[4-(cyclobutanecarbonyl)-1,4-diazepan-1-yl]-2-(2-methoxyphenyl)ethanone
CID 110799375
N-tert-butyl-4-[2-(2-methoxyphenyl)acetyl]-1,4-diazepane-1-carboxamide
CID 110811866
2-(2-methoxyphenyl)-1-[4-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]piperazin-1-yl]ethanone
CID 122336416
2-(2-methoxyphenyl)-1-[4-[2-(1H-pyrrol-2-yl)acetyl]-1,4-diazepan-1-yl]ethanone
CID 110809785
2-ethyl-1-[4-[2-(2-methoxyphenyl)acetyl]piperazin-1-yl]butan-1-one
CID 110818064
1-[4-[2-(2-methoxyphenyl)acetyl]piperazin-1-yl]-2-(4-methylphenyl)ethanone
CID 110818906
2-(2-methoxyphenyl)-1-[4-[2-(1-methylimidazol-2-yl)ethyl]-1,4-diazepan-1-yl]ethanone
CID 138386362
2-(2-methoxyphenyl)-1-(4-methylpiperazin-4-ium-1-yl)ethanone
CID 4739078

Frequently Asked Questions

What is the IUPAC name of 1-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)-1,4-diazepan-1-yl]-2-(2-methoxyphenyl)ethanone?
The IUPAC name of 1-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)-1,4-diazepan-1-yl]-2-(2-methoxyphenyl)ethanone (CID 138379026) is 1-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)-1,4-diazepan-1-yl]-2-(2-methoxyphenyl)ethanone.
What is the SMILES notation for 1-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)-1,4-diazepan-1-yl]-2-(2-methoxyphenyl)ethanone?
The canonical SMILES for 1-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)-1,4-diazepan-1-yl]-2-(2-methoxyphenyl)ethanone is CCc1nc(N2CCCN(C(=O)Cc3ccccc3OC)CC2)no1.
What is the InChIKey of 1-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)-1,4-diazepan-1-yl]-2-(2-methoxyphenyl)ethanone?
The InChIKey is ZJWGKCPWDNSRKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O3/c1-3-16-19-18(20-25-16)22-10-6-9-21(11-12-22)17(23)13-14-7-4-5-8-15(14)24-2/h4-5,7-8H,3,6,9-13H2,1-2H3.
What are the key properties of 1-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)-1,4-diazepan-1-yl]-2-(2-methoxyphenyl)ethanone?
1-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)-1,4-diazepan-1-yl]-2-(2-methoxyphenyl)ethanone has a molecular weight of 344.42 g/mol, XLogP of 1.92, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)-1,4-diazepan-1-yl]-2-(2-methoxyphenyl)ethanone is sourced from PubChem (CID 138379026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).