[2-(1,2,4-oxadiazol-3-yl)azepan-1-yl]-(3-pyridin-4-yloxyphenyl)methanone

C20H20N4O3 — CID 126766315

IUPAC[2-(1,2,4-oxadiazol-3-yl)azepan-1-yl]-(3-pyridin-4-yloxyphenyl)methanone
SMILESO=C(c1cccc(Oc2ccncc2)c1)N1CCCCCC1c1ncon1
InChIInChI=1S/C20H20N4O3/c25-20(24-12-3-1-2-7-18(24)19-22-14-26-23-19)15-5-4-6-17(13-15)27-16-8-10-21-11-9-16/h4-6,8-11,13-14,18H,1-3,7,12H2
InChIKeyZNWMQNRCLIRLRL-UHFFFAOYSA-N
MW364.41 g/mol
LogP4.01
Rot. Bonds4

About [2-(1,2,4-oxadiazol-3-yl)azepan-1-yl]-(3-pyridin-4-yloxyphenyl)methanone

[2-(1,2,4-oxadiazol-3-yl)azepan-1-yl]-(3-pyridin-4-yloxyphenyl)methanone (PubChem CID 126766315) has the molecular formula C20H20N4O3 and a molecular weight of 364.41 g/mol. Its IUPAC name is [2-(1,2,4-oxadiazol-3-yl)azepan-1-yl]-(3-pyridin-4-yloxyphenyl)methanone.

Molecular Properties

Compound Name[2-(1,2,4-oxadiazol-3-yl)azepan-1-yl]-(3-pyridin-4-yloxyphenyl)methanone
PubChem CID126766315
Molecular FormulaC20H20N4O3
Molecular Weight364.41 g/mol
Exact Mass364.15
IUPAC Name[2-(1,2,4-oxadiazol-3-yl)azepan-1-yl]-(3-pyridin-4-yloxyphenyl)methanone
SMILESO=C(c1cccc(Oc2ccncc2)c1)N1CCCCCC1c1ncon1
InChIInChI=1S/C20H20N4O3/c25-20(24-12-3-1-2-7-18(24)19-22-14-26-23-19)15-5-4-6-17(13-15)27-16-8-10-21-11-9-16/h4-6,8-11,13-14,18H,1-3,7,12H2
InChIKeyZNWMQNRCLIRLRL-UHFFFAOYSA-N
XLogP4.01
TPSA81.35 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.41
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [2-(1,2,4-oxadiazol-3-yl)azepan-1-yl]-(3-pyridin-4-yloxyphenyl)methanone 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

(3-chlorophenyl)-[(2S)-2-(1,2,4-oxadiazol-3-yl)azepan-1-yl]methanone
CID 124617199
(3-methylbenzotriazol-5-yl)-[2-(1,2,4-oxadiazol-3-yl)azepan-1-yl]methanone
CID 86806177
[(2S)-2-(aminomethyl)piperidin-1-yl]-(3-pyridin-4-yloxyphenyl)methanone
CID 125135136
(3-cyclopropyl-4-methoxyphenyl)-[(2R)-2-(1,2,4-oxadiazol-3-yl)azepan-1-yl]methanone
CID 125139175
[2-(1-aminoethyl)piperidin-1-yl]-(3-pyridin-4-yloxyphenyl)methanone
CID 119434742
[(2R)-2-(1,2,4-oxadiazol-3-yl)piperidin-1-yl]-[2-[(3S)-oxolan-3-yl]oxy-4-pyridinyl]methanone
CID 124617175
[(3R)-3-(1,2,4-oxadiazol-3-yl)morpholin-4-yl]-(4-phenoxy-2-pyridinyl)methanone
CID 97341023
N,N-dimethyl-2-(1,2,4-oxadiazol-3-yl)azepane-1-carboxamide
CID 91650313
(3,5-dimethylfuran-2-yl)-[(2S)-2-(1,2,4-oxadiazol-3-yl)azepan-1-yl]methanone
CID 99778689
3-amino-N-[[1-(3-pyridin-4-yloxybenzoyl)piperidin-2-yl]methyl]propanamide;dihydrochloride
CID 120580136
1-[2-(1,2,4-oxadiazol-3-yl)piperidin-1-yl]-2-(3-propoxyphenyl)ethanone
CID 126770521
[(3S)-3-(methylamino)piperidin-1-yl]-(3-pyridin-4-yloxyphenyl)methanone
CID 124574705

Frequently Asked Questions

What is the IUPAC name of [2-(1,2,4-oxadiazol-3-yl)azepan-1-yl]-(3-pyridin-4-yloxyphenyl)methanone?
The IUPAC name of [2-(1,2,4-oxadiazol-3-yl)azepan-1-yl]-(3-pyridin-4-yloxyphenyl)methanone (CID 126766315) is [2-(1,2,4-oxadiazol-3-yl)azepan-1-yl]-(3-pyridin-4-yloxyphenyl)methanone.
What is the SMILES notation for [2-(1,2,4-oxadiazol-3-yl)azepan-1-yl]-(3-pyridin-4-yloxyphenyl)methanone?
The canonical SMILES for [2-(1,2,4-oxadiazol-3-yl)azepan-1-yl]-(3-pyridin-4-yloxyphenyl)methanone is O=C(c1cccc(Oc2ccncc2)c1)N1CCCCCC1c1ncon1.
What is the InChIKey of [2-(1,2,4-oxadiazol-3-yl)azepan-1-yl]-(3-pyridin-4-yloxyphenyl)methanone?
The InChIKey is ZNWMQNRCLIRLRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O3/c25-20(24-12-3-1-2-7-18(24)19-22-14-26-23-19)15-5-4-6-17(13-15)27-16-8-10-21-11-9-16/h4-6,8-11,13-14,18H,1-3,7,12H2.
What are the key properties of [2-(1,2,4-oxadiazol-3-yl)azepan-1-yl]-(3-pyridin-4-yloxyphenyl)methanone?
[2-(1,2,4-oxadiazol-3-yl)azepan-1-yl]-(3-pyridin-4-yloxyphenyl)methanone has a molecular weight of 364.41 g/mol, XLogP of 4.01, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1,2,4-oxadiazol-3-yl)azepan-1-yl]-(3-pyridin-4-yloxyphenyl)methanone is sourced from PubChem (CID 126766315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).