cyclobutyl-[2-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone

C19H23N3O3 — CID 4235504

IUPACcyclobutyl-[2-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone
SMILESCOc1cccc(-c2noc(C3CCCCN3C(=O)C3CCC3)n2)c1
InChIInChI=1S/C19H23N3O3/c1-24-15-9-5-8-14(12-15)17-20-18(25-21-17)16-10-2-3-11-22(16)19(23)13-6-4-7-13/h5,8-9,12-13,16H,2-4,6-7,10-11H2,1H3
InChIKeyMBAGGIFLYQBGOQ-UHFFFAOYSA-N
MW341.41 g/mol
LogP3.60
Rot. Bonds4

About cyclobutyl-[2-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone

cyclobutyl-[2-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone (PubChem CID 4235504) has the molecular formula C19H23N3O3 and a molecular weight of 341.41 g/mol. Its IUPAC name is cyclobutyl-[2-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Namecyclobutyl-[2-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone
PubChem CID4235504
Molecular FormulaC19H23N3O3
Molecular Weight341.41 g/mol
Exact Mass341.17
IUPAC Namecyclobutyl-[2-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone
SMILESCOc1cccc(-c2noc(C3CCCCN3C(=O)C3CCC3)n2)c1
InChIInChI=1S/C19H23N3O3/c1-24-15-9-5-8-14(12-15)17-20-18(25-21-17)16-10-2-3-11-22(16)19(23)13-6-4-7-13/h5,8-9,12-13,16H,2-4,6-7,10-11H2,1H3
InChIKeyMBAGGIFLYQBGOQ-UHFFFAOYSA-N
XLogP3.60
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-isopropyl-3,5-dimethoxy-N-{[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl}benzamide
CID 2223954
4-[3-(3-Methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1-(morpholin-4-yl)butan-1-one
CID 1832159
4-[3-(2-Methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1-(morpholin-4-yl)butan-1-one
CID 1836481
N-cyclopentyl-3-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 1848627
3-[3-(4-Methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1-piperidin-1-ylpropan-1-one
CID 2020010
1-[3-[3-(3-Methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1-piperidinyl]-1-butanone
CID 3226016
1-{[3-(Cyclopropylmethyl)-1,2,4-oxadiazol-5-yl]methyl}-4-(4-methoxybenzoyl)piperazine
CID 16187492
1-(2-Methoxybenzyl)-4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperazine
CID 16189001
N-Isopropyl-N-((3-p-tolyl-1,2,4-oxadiazol-5-yl)methyl)-2-(p-tolyloxy)acetamide
CID 2215326
N-Isopropyl-2-phenoxy-N-((3-phenyl-1,2,4-oxadiazol-5-yl)methyl)acetamide
CID 2987737
2-(4-Ethylphenoxy)-N-[(3-phenyl-1,2,4-oxadiazol-5-YL)methyl]-N-(propan-2-YL)acetamide
CID 2992442
5-(1-Azabicyclo[2.2.2]octan-3-yl)-3-(3-methoxyphenyl)-1,2,4-oxadiazole
CID 14810886

Frequently Asked Questions

What is the IUPAC name of cyclobutyl-[2-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone?
The IUPAC name of cyclobutyl-[2-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone (CID 4235504) is cyclobutyl-[2-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone.
What is the SMILES notation for cyclobutyl-[2-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone?
The canonical SMILES for cyclobutyl-[2-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone is COc1cccc(-c2noc(C3CCCCN3C(=O)C3CCC3)n2)c1.
What is the InChIKey of cyclobutyl-[2-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone?
The InChIKey is MBAGGIFLYQBGOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3/c1-24-15-9-5-8-14(12-15)17-20-18(25-21-17)16-10-2-3-11-22(16)19(23)13-6-4-7-13/h5,8-9,12-13,16H,2-4,6-7,10-11H2,1H3.
What are the key properties of cyclobutyl-[2-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone?
cyclobutyl-[2-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone has a molecular weight of 341.41 g/mol, XLogP of 3.60, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobutyl-[2-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 4235504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).