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

C18H21N3O2 — CID 134284341

IUPAC[3-(1-bicyclo[2.2.2]octanyl)-5-cyclopropyl-1,2-oxazol-4-yl]-imidazol-1-ylmethanone
SMILESO=C(c1c(C23CCC(CC2)CC3)noc1C1CC1)n1ccnc1
InChIInChI=1S/C18H21N3O2/c22-17(21-10-9-19-11-21)14-15(13-1-2-13)23-20-16(14)18-6-3-12(4-7-18)5-8-18/h9-13H,1-8H2
InChIKeyNALIZHLGAVOAMM-UHFFFAOYSA-N
MW311.38 g/mol
LogP3.66
Rot. Bonds3

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

[3-(1-bicyclo[2.2.2]octanyl)-5-cyclopropyl-1,2-oxazol-4-yl]-imidazol-1-ylmethanone (PubChem CID 134284341) has the molecular formula C18H21N3O2 and a molecular weight of 311.38 g/mol. Its IUPAC name is [3-(1-bicyclo[2.2.2]octanyl)-5-cyclopropyl-1,2-oxazol-4-yl]-imidazol-1-ylmethanone.

Molecular Properties

Compound Name[3-(1-bicyclo[2.2.2]octanyl)-5-cyclopropyl-1,2-oxazol-4-yl]-imidazol-1-ylmethanone
PubChem CID134284341
Molecular FormulaC18H21N3O2
Molecular Weight311.38 g/mol
Exact Mass311.16
IUPAC Name[3-(1-bicyclo[2.2.2]octanyl)-5-cyclopropyl-1,2-oxazol-4-yl]-imidazol-1-ylmethanone
SMILESO=C(c1c(C23CCC(CC2)CC3)noc1C1CC1)n1ccnc1
InChIInChI=1S/C18H21N3O2/c22-17(21-10-9-19-11-21)14-15(13-1-2-13)23-20-16(14)18-6-3-12(4-7-18)5-8-18/h9-13H,1-8H2
InChIKeyNALIZHLGAVOAMM-UHFFFAOYSA-N
XLogP3.66
TPSA60.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

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Related Compounds

3-cyclopropyl-5-methyl-N-[(2S)-2-methyl-3-(2-methylimidazol-1-yl)propyl]-1,2-oxazole-4-carboxamide
CID 164632652
N-cyclopropyl-5-methyl-N-[(1-methyl-1H-imidazol-2-yl)methyl]-3-phenylisoxazole-4-carboxamide
CID 56755690
7-[1-(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)piperidin-2-yl]-8H-imidazo[1,2-a]pyrimidin-5-one
CID 110118242
[5-Cyclopropyl-3-(4-methoxy-1-bicyclo[2.2.2]octanyl)-1,2-oxazol-4-yl]-imidazol-1-ylmethanone
CID 134284333
Imidazol-1-yl-(5-methyl-3-phenyl-1,2-oxazol-4-yl)methanone
CID 166108738
[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-N-[3-(1H-imidazol-1-yl)propyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 17217963
(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
N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 36201886
1-[(3-ethyl-5-methyl-4-isoxazolyl)carbonyl]-3-(1H-imidazol-1-ylmethyl)piperidine
CID 45202119

Frequently Asked Questions

What is the IUPAC name of [3-(1-bicyclo[2.2.2]octanyl)-5-cyclopropyl-1,2-oxazol-4-yl]-imidazol-1-ylmethanone?
The IUPAC name of [3-(1-bicyclo[2.2.2]octanyl)-5-cyclopropyl-1,2-oxazol-4-yl]-imidazol-1-ylmethanone (CID 134284341) is [3-(1-bicyclo[2.2.2]octanyl)-5-cyclopropyl-1,2-oxazol-4-yl]-imidazol-1-ylmethanone.
What is the SMILES notation for [3-(1-bicyclo[2.2.2]octanyl)-5-cyclopropyl-1,2-oxazol-4-yl]-imidazol-1-ylmethanone?
The canonical SMILES for [3-(1-bicyclo[2.2.2]octanyl)-5-cyclopropyl-1,2-oxazol-4-yl]-imidazol-1-ylmethanone is O=C(c1c(C23CCC(CC2)CC3)noc1C1CC1)n1ccnc1.
What is the InChIKey of [3-(1-bicyclo[2.2.2]octanyl)-5-cyclopropyl-1,2-oxazol-4-yl]-imidazol-1-ylmethanone?
The InChIKey is NALIZHLGAVOAMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2/c22-17(21-10-9-19-11-21)14-15(13-1-2-13)23-20-16(14)18-6-3-12(4-7-18)5-8-18/h9-13H,1-8H2.
What are the key properties of [3-(1-bicyclo[2.2.2]octanyl)-5-cyclopropyl-1,2-oxazol-4-yl]-imidazol-1-ylmethanone?
[3-(1-bicyclo[2.2.2]octanyl)-5-cyclopropyl-1,2-oxazol-4-yl]-imidazol-1-ylmethanone has a molecular weight of 311.38 g/mol, XLogP of 3.66, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(1-bicyclo[2.2.2]octanyl)-5-cyclopropyl-1,2-oxazol-4-yl]-imidazol-1-ylmethanone is sourced from PubChem (CID 134284341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).