2-cyclohexyl-1-[3-[5-(phenylmethoxymethyl)-1,2,4-oxadiazol-3-yl]pyrrolidin-1-yl]ethanone

C22H29N3O3 — CID 91920623

IUPAC2-cyclohexyl-1-[3-[5-(phenylmethoxymethyl)-1,2,4-oxadiazol-3-yl]pyrrolidin-1-yl]ethanone
SMILESO=C(CC1CCCCC1)N1CCC(c2noc(COCc3ccccc3)n2)C1
InChIInChI=1S/C22H29N3O3/c26-21(13-17-7-3-1-4-8-17)25-12-11-19(14-25)22-23-20(28-24-22)16-27-15-18-9-5-2-6-10-18/h2,5-6,9-10,17,19H,1,3-4,7-8,11-16H2
InChIKeyBHAATIKDHNXXCX-UHFFFAOYSA-N
MW383.49 g/mol
LogP4.07
Rot. Bonds7

About 2-cyclohexyl-1-[3-[5-(phenylmethoxymethyl)-1,2,4-oxadiazol-3-yl]pyrrolidin-1-yl]ethanone

2-cyclohexyl-1-[3-[5-(phenylmethoxymethyl)-1,2,4-oxadiazol-3-yl]pyrrolidin-1-yl]ethanone (PubChem CID 91920623) has the molecular formula C22H29N3O3 and a molecular weight of 383.49 g/mol. Its IUPAC name is 2-cyclohexyl-1-[3-[5-(phenylmethoxymethyl)-1,2,4-oxadiazol-3-yl]pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name2-cyclohexyl-1-[3-[5-(phenylmethoxymethyl)-1,2,4-oxadiazol-3-yl]pyrrolidin-1-yl]ethanone
PubChem CID91920623
Molecular FormulaC22H29N3O3
Molecular Weight383.49 g/mol
Exact Mass383.22
IUPAC Name2-cyclohexyl-1-[3-[5-(phenylmethoxymethyl)-1,2,4-oxadiazol-3-yl]pyrrolidin-1-yl]ethanone
SMILESO=C(CC1CCCCC1)N1CCC(c2noc(COCc3ccccc3)n2)C1
InChIInChI=1S/C22H29N3O3/c26-21(13-17-7-3-1-4-8-17)25-12-11-19(14-25)22-23-20(28-24-22)16-27-15-18-9-5-2-6-10-18/h2,5-6,9-10,17,19H,1,3-4,7-8,11-16H2
InChIKeyBHAATIKDHNXXCX-UHFFFAOYSA-N
XLogP4.07
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.49
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-cyclohexyl-1-[3-[5-(phenylmethoxymethyl)-1,2,4-oxadiazol-3-yl]pyrrolidin-1-yl]ethanone 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-benzyl-3-[5-(phenylmethoxymethyl)-1,2,4-oxadiazol-3-yl]piperidine-1-carboxamide
CID 91907968
2-cyclopropyl-1-[4-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]piperidin-1-yl]ethanone
CID 163338975
1-[(3R)-3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]-3-phenylpropan-1-one
CID 99992695
1-[3-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-2-phenoxyethanone
CID 91907841
[3-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]pyrrolidin-1-yl]-pyridin-2-ylmethanone
CID 110197197
1-[8-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)-5,5-dioxo-5λ6-thia-2-azaspiro[3.4]octan-2-yl]-2-phenylmethoxyethanone
CID 146066427
2-cyclopentyl-1-[(3R)-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]ethanone
CID 92577668
1-(4-benzylpiperidin-1-yl)-2-cyclopentylethanone
CID 127122886
1-(4-benzylpiperidin-1-yl)-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]ethanone
CID 56790495
[3-[5-(ethoxymethyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-(2-methoxyphenyl)methanone
CID 91907871
[3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]-phenylmethanone
CID 90641474
2-phenoxy-1-[(3R)-3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyrrolidin-1-yl]ethanone
CID 129417967

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-1-[3-[5-(phenylmethoxymethyl)-1,2,4-oxadiazol-3-yl]pyrrolidin-1-yl]ethanone?
The IUPAC name of 2-cyclohexyl-1-[3-[5-(phenylmethoxymethyl)-1,2,4-oxadiazol-3-yl]pyrrolidin-1-yl]ethanone (CID 91920623) is 2-cyclohexyl-1-[3-[5-(phenylmethoxymethyl)-1,2,4-oxadiazol-3-yl]pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 2-cyclohexyl-1-[3-[5-(phenylmethoxymethyl)-1,2,4-oxadiazol-3-yl]pyrrolidin-1-yl]ethanone?
The canonical SMILES for 2-cyclohexyl-1-[3-[5-(phenylmethoxymethyl)-1,2,4-oxadiazol-3-yl]pyrrolidin-1-yl]ethanone is O=C(CC1CCCCC1)N1CCC(c2noc(COCc3ccccc3)n2)C1.
What is the InChIKey of 2-cyclohexyl-1-[3-[5-(phenylmethoxymethyl)-1,2,4-oxadiazol-3-yl]pyrrolidin-1-yl]ethanone?
The InChIKey is BHAATIKDHNXXCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O3/c26-21(13-17-7-3-1-4-8-17)25-12-11-19(14-25)22-23-20(28-24-22)16-27-15-18-9-5-2-6-10-18/h2,5-6,9-10,17,19H,1,3-4,7-8,11-16H2.
What are the key properties of 2-cyclohexyl-1-[3-[5-(phenylmethoxymethyl)-1,2,4-oxadiazol-3-yl]pyrrolidin-1-yl]ethanone?
2-cyclohexyl-1-[3-[5-(phenylmethoxymethyl)-1,2,4-oxadiazol-3-yl]pyrrolidin-1-yl]ethanone has a molecular weight of 383.49 g/mol, XLogP of 4.07, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-1-[3-[5-(phenylmethoxymethyl)-1,2,4-oxadiazol-3-yl]pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 91920623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).