[3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]-(4-methoxypiperidin-1-yl)methanone

C18H21ClN4O3 — CID 71451194

IUPAC[3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]-(4-methoxypiperidin-1-yl)methanone
SMILESCOC1CCN(C(=O)N2CC(c3nc(-c4cccc(Cl)c4)no3)C2)CC1
InChIInChI=1S/C18H21ClN4O3/c1-25-15-5-7-22(8-6-15)18(24)23-10-13(11-23)17-20-16(21-26-17)12-3-2-4-14(19)9-12/h2-4,9,13,15H,5-8,10-11H2,1H3
InChIKeyHKIOIZJYDNUAIP-UHFFFAOYSA-N
MW376.84 g/mol
LogP3.02
Rot. Bonds3

About [3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]-(4-methoxypiperidin-1-yl)methanone

[3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]-(4-methoxypiperidin-1-yl)methanone (PubChem CID 71451194) has the molecular formula C18H21ClN4O3 and a molecular weight of 376.84 g/mol. Its IUPAC name is [3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]-(4-methoxypiperidin-1-yl)methanone.

Molecular Properties

Compound Name[3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]-(4-methoxypiperidin-1-yl)methanone
PubChem CID71451194
Molecular FormulaC18H21ClN4O3
Molecular Weight376.84 g/mol
Exact Mass376.13
IUPAC Name[3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]-(4-methoxypiperidin-1-yl)methanone
SMILESCOC1CCN(C(=O)N2CC(c3nc(-c4cccc(Cl)c4)no3)C2)CC1
InChIInChI=1S/C18H21ClN4O3/c1-25-15-5-7-22(8-6-15)18(24)23-10-13(11-23)17-20-16(21-26-17)12-3-2-4-14(19)9-12/h2-4,9,13,15H,5-8,10-11H2,1H3
InChIKeyHKIOIZJYDNUAIP-UHFFFAOYSA-N
XLogP3.02
TPSA71.70 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.84
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]-(3-methylpyrrolidin-1-yl)methanone
CID 71456522
1-[3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]ethanone
CID 121095143
1-[4-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]ethanone
CID 42760505
[3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(2,6-dimethoxyphenyl)methanone
CID 42764576
1-[3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]butan-1-one
CID 121095144
[4-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-cyclopentylmethanone
CID 4538482
3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-propan-2-ylazetidine-1-carboxamide
CID 121095485
[3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(3,5-dimethoxyphenyl)methanone
CID 42760479
[(3S)-3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-cyclopropylmethanone
CID 7216459
[3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
CID 56764561
[(3S)-3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-cyclobutylmethanone
CID 812500
[3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(4-methylphenyl)methanone
CID 4037209

Frequently Asked Questions

What is the IUPAC name of [3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]-(4-methoxypiperidin-1-yl)methanone?
The IUPAC name of [3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]-(4-methoxypiperidin-1-yl)methanone (CID 71451194) is [3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]-(4-methoxypiperidin-1-yl)methanone.
What is the SMILES notation for [3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]-(4-methoxypiperidin-1-yl)methanone?
The canonical SMILES for [3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]-(4-methoxypiperidin-1-yl)methanone is COC1CCN(C(=O)N2CC(c3nc(-c4cccc(Cl)c4)no3)C2)CC1.
What is the InChIKey of [3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]-(4-methoxypiperidin-1-yl)methanone?
The InChIKey is HKIOIZJYDNUAIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN4O3/c1-25-15-5-7-22(8-6-15)18(24)23-10-13(11-23)17-20-16(21-26-17)12-3-2-4-14(19)9-12/h2-4,9,13,15H,5-8,10-11H2,1H3.
What are the key properties of [3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]-(4-methoxypiperidin-1-yl)methanone?
[3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]-(4-methoxypiperidin-1-yl)methanone has a molecular weight of 376.84 g/mol, XLogP of 3.02, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]-(4-methoxypiperidin-1-yl)methanone is sourced from PubChem (CID 71451194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).