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

C18H21N3O2 — CID 168869391

IUPAC[2-(1-bicyclo[2.2.2]octanyl)imidazol-1-yl]-(5-cyclopropyl-1,2-oxazol-4-yl)methanone
SMILESO=C(c1cnoc1C1CC1)n1ccnc1C12CCC(CC1)CC2
InChIInChI=1S/C18H21N3O2/c22-16(14-11-20-23-15(14)13-1-2-13)21-10-9-19-17(21)18-6-3-12(4-7-18)5-8-18/h9-13H,1-8H2
InChIKeyNWEGEECIKKKBTH-UHFFFAOYSA-N
MW311.38 g/mol
LogP3.66
Rot. Bonds3

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

[2-(1-bicyclo[2.2.2]octanyl)imidazol-1-yl]-(5-cyclopropyl-1,2-oxazol-4-yl)methanone (PubChem CID 168869391) has the molecular formula C18H21N3O2 and a molecular weight of 311.38 g/mol. Its IUPAC name is [2-(1-bicyclo[2.2.2]octanyl)imidazol-1-yl]-(5-cyclopropyl-1,2-oxazol-4-yl)methanone.

Molecular Properties

Compound Name[2-(1-bicyclo[2.2.2]octanyl)imidazol-1-yl]-(5-cyclopropyl-1,2-oxazol-4-yl)methanone
PubChem CID168869391
Molecular FormulaC18H21N3O2
Molecular Weight311.38 g/mol
Exact Mass311.16
IUPAC Name[2-(1-bicyclo[2.2.2]octanyl)imidazol-1-yl]-(5-cyclopropyl-1,2-oxazol-4-yl)methanone
SMILESO=C(c1cnoc1C1CC1)n1ccnc1C12CCC(CC1)CC2
InChIInChI=1S/C18H21N3O2/c22-16(14-11-20-23-15(14)13-1-2-13)21-10-9-19-17(21)18-6-3-12(4-7-18)5-8-18/h9-13H,1-8H2
InChIKeyNWEGEECIKKKBTH-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 [2-(1-bicyclo[2.2.2]octanyl)imidazol-1-yl]-(5-cyclopropyl-1,2-oxazol-4-yl)methanone?
The IUPAC name of [2-(1-bicyclo[2.2.2]octanyl)imidazol-1-yl]-(5-cyclopropyl-1,2-oxazol-4-yl)methanone (CID 168869391) is [2-(1-bicyclo[2.2.2]octanyl)imidazol-1-yl]-(5-cyclopropyl-1,2-oxazol-4-yl)methanone.
What is the SMILES notation for [2-(1-bicyclo[2.2.2]octanyl)imidazol-1-yl]-(5-cyclopropyl-1,2-oxazol-4-yl)methanone?
The canonical SMILES for [2-(1-bicyclo[2.2.2]octanyl)imidazol-1-yl]-(5-cyclopropyl-1,2-oxazol-4-yl)methanone is O=C(c1cnoc1C1CC1)n1ccnc1C12CCC(CC1)CC2.
What is the InChIKey of [2-(1-bicyclo[2.2.2]octanyl)imidazol-1-yl]-(5-cyclopropyl-1,2-oxazol-4-yl)methanone?
The InChIKey is NWEGEECIKKKBTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2/c22-16(14-11-20-23-15(14)13-1-2-13)21-10-9-19-17(21)18-6-3-12(4-7-18)5-8-18/h9-13H,1-8H2.
What are the key properties of [2-(1-bicyclo[2.2.2]octanyl)imidazol-1-yl]-(5-cyclopropyl-1,2-oxazol-4-yl)methanone?
[2-(1-bicyclo[2.2.2]octanyl)imidazol-1-yl]-(5-cyclopropyl-1,2-oxazol-4-yl)methanone 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 [2-(1-bicyclo[2.2.2]octanyl)imidazol-1-yl]-(5-cyclopropyl-1,2-oxazol-4-yl)methanone is sourced from PubChem (CID 168869391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).