1,2,5-oxadiazepan-5-yl-(2-thiophen-2-ylphenyl)methanone

C15H16N2O2S — CID 134287069

IUPAC1,2,5-oxadiazepan-5-yl-(2-thiophen-2-ylphenyl)methanone
SMILESO=C(c1ccccc1-c1cccs1)N1CCNOCC1
InChIInChI=1S/C15H16N2O2S/c18-15(17-8-7-16-19-10-9-17)13-5-2-1-4-12(13)14-6-3-11-20-14/h1-6,11,16H,7-10H2
InChIKeyJTZRBHPXFFXHEW-UHFFFAOYSA-N
MW288.37 g/mol
LogP2.39
Rot. Bonds2

About 1,2,5-oxadiazepan-5-yl-(2-thiophen-2-ylphenyl)methanone

1,2,5-oxadiazepan-5-yl-(2-thiophen-2-ylphenyl)methanone (PubChem CID 134287069) has the molecular formula C15H16N2O2S and a molecular weight of 288.37 g/mol. Its IUPAC name is 1,2,5-oxadiazepan-5-yl-(2-thiophen-2-ylphenyl)methanone.

Molecular Properties

Compound Name1,2,5-oxadiazepan-5-yl-(2-thiophen-2-ylphenyl)methanone
PubChem CID134287069
Molecular FormulaC15H16N2O2S
Molecular Weight288.37 g/mol
Exact Mass288.09
IUPAC Name1,2,5-oxadiazepan-5-yl-(2-thiophen-2-ylphenyl)methanone
SMILESO=C(c1ccccc1-c1cccs1)N1CCNOCC1
InChIInChI=1S/C15H16N2O2S/c18-15(17-8-7-16-19-10-9-17)13-5-2-1-4-12(13)14-6-3-11-20-14/h1-6,11,16H,7-10H2
InChIKeyJTZRBHPXFFXHEW-UHFFFAOYSA-N
XLogP2.39
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2-phenyl-8-thiophen-2-ylquinolin-4-yl)-piperazin-1-ylmethanone
CID 162644748
N-oxo-2-thiophen-2-ylbenzamide
CID 134287051
piperazin-1-yl-(5-thiophen-2-yl-1,2-oxazol-3-yl)methanone
CID 24858712
5-(piperazine-1-carbonyl)-3-thiophen-2-yl-1H-pyridazin-6-one
CID 82446499
[(3aS)-2-quinolin-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-(2-thiophen-2-ylphenyl)methanone
CID 122691768
morpholin-4-yl-(2-phenyl-8-thiophen-2-yl-1,6-naphthyridin-4-yl)methanone
CID 162668697
morpholin-4-yl-(5-thiophen-2-yl-1,2-oxazol-3-yl)methanone
CID 3242386
[5-methyl-2-(triazol-2-yl)phenyl]-(1,2,5-oxadiazepan-5-yl)methanone
CID 134279196
piperazin-1-yl-(3-thiophen-2-ylphenyl)methanone
CID 39371882
(2-methyl-8-thiophen-2-ylquinolin-4-yl)-(4-phenylpiperazin-1-yl)methanone
CID 46383049
[(1R,6S)-8-quinoxalin-2-yl-3,8-diazabicyclo[4.2.0]octan-3-yl]-(2-thiophen-2-ylphenyl)methanone
CID 51346962
azetidin-1-yl-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methanone
CID 7677674

Frequently Asked Questions

What is the IUPAC name of 1,2,5-oxadiazepan-5-yl-(2-thiophen-2-ylphenyl)methanone?
The IUPAC name of 1,2,5-oxadiazepan-5-yl-(2-thiophen-2-ylphenyl)methanone (CID 134287069) is 1,2,5-oxadiazepan-5-yl-(2-thiophen-2-ylphenyl)methanone.
What is the SMILES notation for 1,2,5-oxadiazepan-5-yl-(2-thiophen-2-ylphenyl)methanone?
The canonical SMILES for 1,2,5-oxadiazepan-5-yl-(2-thiophen-2-ylphenyl)methanone is O=C(c1ccccc1-c1cccs1)N1CCNOCC1.
What is the InChIKey of 1,2,5-oxadiazepan-5-yl-(2-thiophen-2-ylphenyl)methanone?
The InChIKey is JTZRBHPXFFXHEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2S/c18-15(17-8-7-16-19-10-9-17)13-5-2-1-4-12(13)14-6-3-11-20-14/h1-6,11,16H,7-10H2.
What are the key properties of 1,2,5-oxadiazepan-5-yl-(2-thiophen-2-ylphenyl)methanone?
1,2,5-oxadiazepan-5-yl-(2-thiophen-2-ylphenyl)methanone has a molecular weight of 288.37 g/mol, XLogP of 2.39, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,5-oxadiazepan-5-yl-(2-thiophen-2-ylphenyl)methanone is sourced from PubChem (CID 134287069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).