[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

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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).