oxolan-3-yl-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)-1,4-diazepan-1-yl]methanone

C18H22N4O3 — CID 138384199

IUPACoxolan-3-yl-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)-1,4-diazepan-1-yl]methanone
SMILESO=C(C1CCOC1)N1CCCN(c2nc(-c3ccccc3)no2)CC1
InChIInChI=1S/C18H22N4O3/c23-17(15-7-12-24-13-15)21-8-4-9-22(11-10-21)18-19-16(20-25-18)14-5-2-1-3-6-14/h1-3,5-6,15H,4,7-13H2
InChIKeyBCGRTWASHWSJSB-UHFFFAOYSA-N
MW342.40 g/mol
LogP1.81
Rot. Bonds3

About oxolan-3-yl-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)-1,4-diazepan-1-yl]methanone

oxolan-3-yl-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)-1,4-diazepan-1-yl]methanone (PubChem CID 138384199) has the molecular formula C18H22N4O3 and a molecular weight of 342.40 g/mol. Its IUPAC name is oxolan-3-yl-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)-1,4-diazepan-1-yl]methanone.

Molecular Properties

Compound Nameoxolan-3-yl-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)-1,4-diazepan-1-yl]methanone
PubChem CID138384199
Molecular FormulaC18H22N4O3
Molecular Weight342.40 g/mol
Exact Mass342.17
IUPAC Nameoxolan-3-yl-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)-1,4-diazepan-1-yl]methanone
SMILESO=C(C1CCOC1)N1CCCN(c2nc(-c3ccccc3)no2)CC1
InChIInChI=1S/C18H22N4O3/c23-17(15-7-12-24-13-15)21-8-4-9-22(11-10-21)18-19-16(20-25-18)14-5-2-1-3-6-14/h1-3,5-6,15H,4,7-13H2
InChIKeyBCGRTWASHWSJSB-UHFFFAOYSA-N
XLogP1.81
TPSA71.70 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze oxolan-3-yl-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)-1,4-diazepan-1-yl]methanone with MolForge

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Related Compounds

4-[4-(oxolane-3-carbonyl)-1,4-diazepan-1-yl]pyridine-2-carboxylic acid
CID 138385150
[4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperazin-1-yl]-[(2R)-oxolan-2-yl]methanone
CID 93077111
oxan-3-yl-(4-phenylpiperazin-1-yl)methanone
CID 110853203
oxolan-3-yl-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 110854828
cyclopentyl-[4-[3-(3,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]piperazin-1-yl]methanone
CID 133350736
[(3S)-oxolan-3-yl]-[(3R)-3-phenylazepan-1-yl]methanone
CID 129354509
[4-(dimethylamino)-2-phenyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-[(3R)-oxolan-3-yl]methanone
CID 95723300
[1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidin-4-yl]-morpholin-4-ylmethanone
CID 22519568
[4-[5-[(2-fluorophenyl)methyl]-6-methyl-2-phenylpyrimidin-4-yl]piperazin-1-yl]-(oxolan-3-yl)methanone
CID 83286355
oxan-4-yl-(4-phenylpiperazin-1-yl)methanone
CID 78802039
[4-[2-(benzenesulfonyl)ethyl]-1,4-diazepan-1-yl]-(oxolan-3-yl)methanone
CID 137345568
[3-(dimethylamino)phenyl]-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperazin-1-yl]methanone
CID 22581254

Frequently Asked Questions

What is the IUPAC name of oxolan-3-yl-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)-1,4-diazepan-1-yl]methanone?
The IUPAC name of oxolan-3-yl-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)-1,4-diazepan-1-yl]methanone (CID 138384199) is oxolan-3-yl-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)-1,4-diazepan-1-yl]methanone.
What is the SMILES notation for oxolan-3-yl-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)-1,4-diazepan-1-yl]methanone?
The canonical SMILES for oxolan-3-yl-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)-1,4-diazepan-1-yl]methanone is O=C(C1CCOC1)N1CCCN(c2nc(-c3ccccc3)no2)CC1.
What is the InChIKey of oxolan-3-yl-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)-1,4-diazepan-1-yl]methanone?
The InChIKey is BCGRTWASHWSJSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O3/c23-17(15-7-12-24-13-15)21-8-4-9-22(11-10-21)18-19-16(20-25-18)14-5-2-1-3-6-14/h1-3,5-6,15H,4,7-13H2.
What are the key properties of oxolan-3-yl-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)-1,4-diazepan-1-yl]methanone?
oxolan-3-yl-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)-1,4-diazepan-1-yl]methanone has a molecular weight of 342.40 g/mol, XLogP of 1.81, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for oxolan-3-yl-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)-1,4-diazepan-1-yl]methanone is sourced from PubChem (CID 138384199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).