[5-cyclopropyl-3-(4-methoxy-1-bicyclo[2.2.2]octanyl)-1,2-oxazol-4-yl]-imidazol-1-ylmethanone

C19H23N3O3 — CID 134284333

IUPAC[5-cyclopropyl-3-(4-methoxy-1-bicyclo[2.2.2]octanyl)-1,2-oxazol-4-yl]-imidazol-1-ylmethanone
SMILESCOC12CCC(c3noc(C4CC4)c3C(=O)n3ccnc3)(CC1)CC2
InChIInChI=1S/C19H23N3O3/c1-24-19-7-4-18(5-8-19,6-9-19)16-14(15(25-21-16)13-2-3-13)17(23)22-11-10-20-12-22/h10-13H,2-9H2,1H3
InChIKeyOIYZHMMVHWODJI-UHFFFAOYSA-N
MW341.41 g/mol
LogP3.43
Rot. Bonds4

About [5-cyclopropyl-3-(4-methoxy-1-bicyclo[2.2.2]octanyl)-1,2-oxazol-4-yl]-imidazol-1-ylmethanone

[5-cyclopropyl-3-(4-methoxy-1-bicyclo[2.2.2]octanyl)-1,2-oxazol-4-yl]-imidazol-1-ylmethanone (PubChem CID 134284333) has the molecular formula C19H23N3O3 and a molecular weight of 341.41 g/mol. Its IUPAC name is [5-cyclopropyl-3-(4-methoxy-1-bicyclo[2.2.2]octanyl)-1,2-oxazol-4-yl]-imidazol-1-ylmethanone.

Molecular Properties

Compound Name[5-cyclopropyl-3-(4-methoxy-1-bicyclo[2.2.2]octanyl)-1,2-oxazol-4-yl]-imidazol-1-ylmethanone
PubChem CID134284333
Molecular FormulaC19H23N3O3
Molecular Weight341.41 g/mol
Exact Mass341.17
IUPAC Name[5-cyclopropyl-3-(4-methoxy-1-bicyclo[2.2.2]octanyl)-1,2-oxazol-4-yl]-imidazol-1-ylmethanone
SMILESCOC12CCC(c3noc(C4CC4)c3C(=O)n3ccnc3)(CC1)CC2
InChIInChI=1S/C19H23N3O3/c1-24-19-7-4-18(5-8-19,6-9-19)16-14(15(25-21-16)13-2-3-13)17(23)22-11-10-20-12-22/h10-13H,2-9H2,1H3
InChIKeyOIYZHMMVHWODJI-UHFFFAOYSA-N
XLogP3.43
TPSA70.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [5-cyclopropyl-3-(4-methoxy-1-bicyclo[2.2.2]octanyl)-1,2-oxazol-4-yl]-imidazol-1-ylmethanone 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-cyclopropyl-5-methyl-N-[(2S)-2-methyl-3-(2-methylimidazol-1-yl)propyl]-1,2-oxazole-4-carboxamide
CID 164632652
[3-(1-Bicyclo[2.2.2]octanyl)-5-cyclopropyl-1,2-oxazol-4-yl]-imidazol-1-ylmethanone
CID 134284341
[3-(2-Bicyclo[3.3.1]nonanyl)-5-cyclopropyl-1,2-oxazol-4-yl]-imidazol-1-ylmethanone
CID 166764566
[2-(1-Bicyclo[2.2.2]octanyl)imidazol-1-yl]-(5-cyclopropyl-1,2-oxazol-4-yl)methanone
CID 168869391
(3-ethyl-5-methyl-1,2-oxazol-4-yl)-[(3S)-3-(imidazol-1-ylmethyl)piperidin-1-yl]methanone
CID 29215505
(3-ethyl-5-methyl-1,2-oxazol-4-yl)-[(3R)-3-(imidazol-1-ylmethyl)piperidin-1-yl]methanone
CID 29215509
1-[(3-ethyl-5-methyl-4-isoxazolyl)carbonyl]-3-(1H-imidazol-1-ylmethyl)piperidine
CID 45202119
(3-Imidazol-1-ylpiperidin-1-yl)-(3-methyl-5-propan-2-yl-1,2-oxazol-4-yl)methanone
CID 53593025
[(3S)-3-imidazol-1-ylpiperidin-1-yl]-(3-methyl-5-propan-2-yl-1,2-oxazol-4-yl)methanone
CID 95313792
[(3R)-3-imidazol-1-ylpiperidin-1-yl]-(3-methyl-5-propan-2-yl-1,2-oxazol-4-yl)methanone
CID 95313793
3-cyclopropyl-5-methyl-N-[2-methyl-3-(2-methylimidazol-1-yl)propyl]-1,2-oxazole-4-carboxamide
CID 137991090

Frequently Asked Questions

What is the IUPAC name of [5-cyclopropyl-3-(4-methoxy-1-bicyclo[2.2.2]octanyl)-1,2-oxazol-4-yl]-imidazol-1-ylmethanone?
The IUPAC name of [5-cyclopropyl-3-(4-methoxy-1-bicyclo[2.2.2]octanyl)-1,2-oxazol-4-yl]-imidazol-1-ylmethanone (CID 134284333) is [5-cyclopropyl-3-(4-methoxy-1-bicyclo[2.2.2]octanyl)-1,2-oxazol-4-yl]-imidazol-1-ylmethanone.
What is the SMILES notation for [5-cyclopropyl-3-(4-methoxy-1-bicyclo[2.2.2]octanyl)-1,2-oxazol-4-yl]-imidazol-1-ylmethanone?
The canonical SMILES for [5-cyclopropyl-3-(4-methoxy-1-bicyclo[2.2.2]octanyl)-1,2-oxazol-4-yl]-imidazol-1-ylmethanone is COC12CCC(c3noc(C4CC4)c3C(=O)n3ccnc3)(CC1)CC2.
What is the InChIKey of [5-cyclopropyl-3-(4-methoxy-1-bicyclo[2.2.2]octanyl)-1,2-oxazol-4-yl]-imidazol-1-ylmethanone?
The InChIKey is OIYZHMMVHWODJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3/c1-24-19-7-4-18(5-8-19,6-9-19)16-14(15(25-21-16)13-2-3-13)17(23)22-11-10-20-12-22/h10-13H,2-9H2,1H3.
What are the key properties of [5-cyclopropyl-3-(4-methoxy-1-bicyclo[2.2.2]octanyl)-1,2-oxazol-4-yl]-imidazol-1-ylmethanone?
[5-cyclopropyl-3-(4-methoxy-1-bicyclo[2.2.2]octanyl)-1,2-oxazol-4-yl]-imidazol-1-ylmethanone has a molecular weight of 341.41 g/mol, XLogP of 3.43, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-cyclopropyl-3-(4-methoxy-1-bicyclo[2.2.2]octanyl)-1,2-oxazol-4-yl]-imidazol-1-ylmethanone is sourced from PubChem (CID 134284333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).