[4-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-1,4-diazepan-1-yl]-(4-propylphenyl)methanone

C20H28N4O2 — CID 134706867

IUPAC[4-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-1,4-diazepan-1-yl]-(4-propylphenyl)methanone
SMILESCCCc1ccc(C(=O)N2CCCN(Cc3nc(CC)no3)CC2)cc1
InChIInChI=1S/C20H28N4O2/c1-3-6-16-7-9-17(10-8-16)20(25)24-12-5-11-23(13-14-24)15-19-21-18(4-2)22-26-19/h7-10H,3-6,11-15H2,1-2H3
InChIKeyWTHNSQAWINMNJU-UHFFFAOYSA-N
MW356.47 g/mol
LogP2.93
Rot. Bonds6

About [4-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-1,4-diazepan-1-yl]-(4-propylphenyl)methanone

[4-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-1,4-diazepan-1-yl]-(4-propylphenyl)methanone (PubChem CID 134706867) has the molecular formula C20H28N4O2 and a molecular weight of 356.47 g/mol. Its IUPAC name is [4-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-1,4-diazepan-1-yl]-(4-propylphenyl)methanone.

Molecular Properties

Compound Name[4-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-1,4-diazepan-1-yl]-(4-propylphenyl)methanone
PubChem CID134706867
Molecular FormulaC20H28N4O2
Molecular Weight356.47 g/mol
Exact Mass356.22
IUPAC Name[4-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-1,4-diazepan-1-yl]-(4-propylphenyl)methanone
SMILESCCCc1ccc(C(=O)N2CCCN(Cc3nc(CC)no3)CC2)cc1
InChIInChI=1S/C20H28N4O2/c1-3-6-16-7-9-17(10-8-16)20(25)24-12-5-11-23(13-14-24)15-19-21-18(4-2)22-26-19/h7-10H,3-6,11-15H2,1-2H3
InChIKeyWTHNSQAWINMNJU-UHFFFAOYSA-N
XLogP2.93
TPSA62.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [4-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-1,4-diazepan-1-yl]-(4-propylphenyl)methanone with MolForge

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Launch Full Analysis

Related Compounds

3-ethyl-5-[[4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]methyl]-1,2,4-oxadiazole
CID 51075932
5-[[4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]methyl]-3-propyl-1,2,4-oxadiazole
CID 29001704
[4-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-1,4-diazepan-1-yl]-(4-chlorophenyl)methanone;hydrochloride
CID 120751382
1-[4-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-1,4-diazepan-1-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone
CID 137342741
(4-ethylphenyl)-[4-[[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]piperazin-1-yl]methanone
CID 42879635
[4-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-(4-ethylphenyl)methanone
CID 42955070
morpholin-4-yl-[4-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]methanone
CID 134038915
[4-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-1,4-diazepan-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
CID 138387850
(4-methylphenyl)-[4-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-1,4-diazepan-1-yl]methanone;hydrochloride
CID 146061253
1-(azepan-1-yl)-3-[3-[[4-(4-fluorobenzoyl)piperazin-1-yl]methyl]-1,2,4-oxadiazol-5-yl]propan-1-one;hydrochloride
CID 146053061
[4-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-1,4-diazepan-1-yl]-(3-chlorophenyl)methanone;hydrochloride
CID 120751384
4-[(3-butyl-1,2,4-oxadiazol-5-yl)methyl]-N-ethylpiperazine-1-carboxamide
CID 86919634

Frequently Asked Questions

What is the IUPAC name of [4-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-1,4-diazepan-1-yl]-(4-propylphenyl)methanone?
The IUPAC name of [4-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-1,4-diazepan-1-yl]-(4-propylphenyl)methanone (CID 134706867) is [4-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-1,4-diazepan-1-yl]-(4-propylphenyl)methanone.
What is the SMILES notation for [4-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-1,4-diazepan-1-yl]-(4-propylphenyl)methanone?
The canonical SMILES for [4-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-1,4-diazepan-1-yl]-(4-propylphenyl)methanone is CCCc1ccc(C(=O)N2CCCN(Cc3nc(CC)no3)CC2)cc1.
What is the InChIKey of [4-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-1,4-diazepan-1-yl]-(4-propylphenyl)methanone?
The InChIKey is WTHNSQAWINMNJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O2/c1-3-6-16-7-9-17(10-8-16)20(25)24-12-5-11-23(13-14-24)15-19-21-18(4-2)22-26-19/h7-10H,3-6,11-15H2,1-2H3.
What are the key properties of [4-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-1,4-diazepan-1-yl]-(4-propylphenyl)methanone?
[4-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-1,4-diazepan-1-yl]-(4-propylphenyl)methanone has a molecular weight of 356.47 g/mol, XLogP of 2.93, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-1,4-diazepan-1-yl]-(4-propylphenyl)methanone is sourced from PubChem (CID 134706867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).