[3-(2-bicyclo[3.3.1]nonanyl)-5-cyclopropyl-1,2-oxazol-4-yl]-imidazol-1-ylmethanone

C19H23N3O2 — CID 166764566

IUPAC[3-(2-bicyclo[3.3.1]nonanyl)-5-cyclopropyl-1,2-oxazol-4-yl]-imidazol-1-ylmethanone
SMILESO=C(c1c(C2CCC3CCCC2C3)noc1C1CC1)n1ccnc1
InChIInChI=1S/C19H23N3O2/c23-19(22-9-8-20-11-22)16-17(21-24-18(16)13-5-6-13)15-7-4-12-2-1-3-14(15)10-12/h8-9,11-15H,1-7,10H2
InChIKeyYZVRFRPNBWWKJB-UHFFFAOYSA-N
MW325.41 g/mol
LogP4.12
Rot. Bonds3

About [3-(2-bicyclo[3.3.1]nonanyl)-5-cyclopropyl-1,2-oxazol-4-yl]-imidazol-1-ylmethanone

[3-(2-bicyclo[3.3.1]nonanyl)-5-cyclopropyl-1,2-oxazol-4-yl]-imidazol-1-ylmethanone (PubChem CID 166764566) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is [3-(2-bicyclo[3.3.1]nonanyl)-5-cyclopropyl-1,2-oxazol-4-yl]-imidazol-1-ylmethanone.

Molecular Properties

Compound Name[3-(2-bicyclo[3.3.1]nonanyl)-5-cyclopropyl-1,2-oxazol-4-yl]-imidazol-1-ylmethanone
PubChem CID166764566
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC Name[3-(2-bicyclo[3.3.1]nonanyl)-5-cyclopropyl-1,2-oxazol-4-yl]-imidazol-1-ylmethanone
SMILESO=C(c1c(C2CCC3CCCC2C3)noc1C1CC1)n1ccnc1
InChIInChI=1S/C19H23N3O2/c23-19(22-9-8-20-11-22)16-17(21-24-18(16)13-5-6-13)15-7-4-12-2-1-3-14(15)10-12/h8-9,11-15H,1-7,10H2
InChIKeyYZVRFRPNBWWKJB-UHFFFAOYSA-N
XLogP4.12
TPSA60.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [3-(2-bicyclo[3.3.1]nonanyl)-5-cyclopropyl-1,2-oxazol-4-yl]-imidazol-1-ylmethanone?
The IUPAC name of [3-(2-bicyclo[3.3.1]nonanyl)-5-cyclopropyl-1,2-oxazol-4-yl]-imidazol-1-ylmethanone (CID 166764566) is [3-(2-bicyclo[3.3.1]nonanyl)-5-cyclopropyl-1,2-oxazol-4-yl]-imidazol-1-ylmethanone.
What is the SMILES notation for [3-(2-bicyclo[3.3.1]nonanyl)-5-cyclopropyl-1,2-oxazol-4-yl]-imidazol-1-ylmethanone?
The canonical SMILES for [3-(2-bicyclo[3.3.1]nonanyl)-5-cyclopropyl-1,2-oxazol-4-yl]-imidazol-1-ylmethanone is O=C(c1c(C2CCC3CCCC2C3)noc1C1CC1)n1ccnc1.
What is the InChIKey of [3-(2-bicyclo[3.3.1]nonanyl)-5-cyclopropyl-1,2-oxazol-4-yl]-imidazol-1-ylmethanone?
The InChIKey is YZVRFRPNBWWKJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2/c23-19(22-9-8-20-11-22)16-17(21-24-18(16)13-5-6-13)15-7-4-12-2-1-3-14(15)10-12/h8-9,11-15H,1-7,10H2.
What are the key properties of [3-(2-bicyclo[3.3.1]nonanyl)-5-cyclopropyl-1,2-oxazol-4-yl]-imidazol-1-ylmethanone?
[3-(2-bicyclo[3.3.1]nonanyl)-5-cyclopropyl-1,2-oxazol-4-yl]-imidazol-1-ylmethanone has a molecular weight of 325.41 g/mol, XLogP of 4.12, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-bicyclo[3.3.1]nonanyl)-5-cyclopropyl-1,2-oxazol-4-yl]-imidazol-1-ylmethanone is sourced from PubChem (CID 166764566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).