(5-benzoyl-1,4,5-oxadiazepan-4-yl)-phenylmethanone

C18H18N2O3 — CID 12845384

IUPAC(5-benzoyl-1,4,5-oxadiazepan-4-yl)-phenylmethanone
SMILESO=C(c1ccccc1)N1CCOCCN1C(=O)c1ccccc1
InChIInChI=1S/C18H18N2O3/c21-17(15-7-3-1-4-8-15)19-11-13-23-14-12-20(19)18(22)16-9-5-2-6-10-16/h1-10H,11-14H2
InChIKeyHXKOURZSMINKOF-UHFFFAOYSA-N
MW310.35 g/mol
LogP2.22
Rot. Bonds2

About (5-benzoyl-1,4,5-oxadiazepan-4-yl)-phenylmethanone

(5-benzoyl-1,4,5-oxadiazepan-4-yl)-phenylmethanone (PubChem CID 12845384) has the molecular formula C18H18N2O3 and a molecular weight of 310.35 g/mol. Its IUPAC name is (5-benzoyl-1,4,5-oxadiazepan-4-yl)-phenylmethanone.

Molecular Properties

Compound Name(5-benzoyl-1,4,5-oxadiazepan-4-yl)-phenylmethanone
PubChem CID12845384
Molecular FormulaC18H18N2O3
Molecular Weight310.35 g/mol
Exact Mass310.13
IUPAC Name(5-benzoyl-1,4,5-oxadiazepan-4-yl)-phenylmethanone
SMILESO=C(c1ccccc1)N1CCOCCN1C(=O)c1ccccc1
InChIInChI=1S/C18H18N2O3/c21-17(15-7-3-1-4-8-15)19-11-13-23-14-12-20(19)18(22)16-9-5-2-6-10-16/h1-10H,11-14H2
InChIKeyHXKOURZSMINKOF-UHFFFAOYSA-N
XLogP2.22
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (5-benzoyl-1,4,5-oxadiazepan-4-yl)-phenylmethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(morpholin-4-ylmethylidene)benzamide
CID 71741109
benzoic acid;oxane
CID 158907979
N-methyl-N-morpholin-4-ylbenzamide
CID 154120289
N-hydroxy-N-morpholin-4-ylbenzamide
CID 167437599
1-(3-benzoylimidazolidin-1-yl)-2-morpholin-4-ylethanone
CID 4558528
4-(2-phenylprop-1-enyl)morpholine
CID 85373526
3-[morpholin-4-yl(phenyl)methylidene]-2-benzofuran-1-one
CID 54204273
(Z)-1,1,1-trifluoro-4-morpholin-4-yl-3-phenylbut-3-en-2-one
CID 129293911
2,2-dibromo-1-morpholin-4-yl-3-phenylpropane-1,3-dione
CID 569666
(3-methoxymorpholin-4-yl)-phenylmethanone
CID 15379431
[(3R)-3-(hydroxymethyl)morpholin-4-yl]-phenylmethanone;hydrochloride
CID 118953500
[3-(morpholine-4-carbonyl)phenyl]-pyrrolidin-1-ylmethanone
CID 109051623

Frequently Asked Questions

What is the IUPAC name of (5-benzoyl-1,4,5-oxadiazepan-4-yl)-phenylmethanone?
The IUPAC name of (5-benzoyl-1,4,5-oxadiazepan-4-yl)-phenylmethanone (CID 12845384) is (5-benzoyl-1,4,5-oxadiazepan-4-yl)-phenylmethanone.
What is the SMILES notation for (5-benzoyl-1,4,5-oxadiazepan-4-yl)-phenylmethanone?
The canonical SMILES for (5-benzoyl-1,4,5-oxadiazepan-4-yl)-phenylmethanone is O=C(c1ccccc1)N1CCOCCN1C(=O)c1ccccc1.
What is the InChIKey of (5-benzoyl-1,4,5-oxadiazepan-4-yl)-phenylmethanone?
The InChIKey is HXKOURZSMINKOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O3/c21-17(15-7-3-1-4-8-15)19-11-13-23-14-12-20(19)18(22)16-9-5-2-6-10-16/h1-10H,11-14H2.
What are the key properties of (5-benzoyl-1,4,5-oxadiazepan-4-yl)-phenylmethanone?
(5-benzoyl-1,4,5-oxadiazepan-4-yl)-phenylmethanone has a molecular weight of 310.35 g/mol, XLogP of 2.22, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-benzoyl-1,4,5-oxadiazepan-4-yl)-phenylmethanone is sourced from PubChem (CID 12845384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).