3-[3-[2-[3-[[2-[(1S)-1-hydroxyethyl]imidazol-1-yl]methyl]-1,2-oxazol-5-yl]ethynyl]-1-bicyclo[1.1.1]pentanyl]propan-1-ol

C19H23N3O3 — CID 142479535

About 3-[3-[2-[3-[[2-[(1S)-1-hydroxyethyl]imidazol-1-yl]methyl]-1,2-oxazol-5-yl]ethynyl]-1-bicyclo[1.1.1]pentanyl]propan-1-ol

3-[3-[2-[3-[[2-[(1S)-1-hydroxyethyl]imidazol-1-yl]methyl]-1,2-oxazol-5-yl]ethynyl]-1-bicyclo[1.1.1]pentanyl]propan-1-ol (PubChem CID 142479535) has the molecular formula C19H23N3O3 and a molecular weight of 341.41 g/mol. Its IUPAC name is 3-[3-[2-[3-[[2-[(1S)-1-hydroxyethyl]imidazol-1-yl]methyl]-1,2-oxazol-5-yl]ethynyl]-1-bicyclo[1.1.1]pentanyl]propan-1-ol.

Molecular Properties

• Compound Name: 3-[3-[2-[3-[[2-[(1S)-1-hydroxyethyl]imidazol-1-yl]methyl]-1,2-oxazol-5-yl]ethynyl]-1-bicyclo[1.1.1]pentanyl]propan-1-ol
• PubChem CID: 142479535
• Molecular Formula: C19H23N3O3
• Molecular Weight: 341.41 g/mol
• Exact Mass: 341.17
• IUPAC Name: 3-[3-[2-[3-[[2-[(1S)-1-hydroxyethyl]imidazol-1-yl]methyl]-1,2-oxazol-5-yl]ethynyl]-1-bicyclo[1.1.1]pentanyl]propan-1-ol
• SMILES: C[C@H](O)c1nccn1Cc1cc(C#CC23CC(CCCO)(C2)C3)on1
• InChI: InChI=1S/C19H23N3O3/c1-14(24)17-20-6-7-22(17)10-15-9-16(25-21-15)3-5-19-11-18(12-19,13-19)4-2-8-23/h6-7,9,14,23-24H,2,4,8,10-13H2,1H3/t14-,18?,19?/m0/s1
• InChIKey: GLDLTCJQIDYFSE-YCMKEVRSSA-N
• XLogP: 2.27
• TPSA: 84.31 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	341.41
LogP ≤ 5	2.27
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-[3-[2-[3-[[2-[(1S)-1-hydroxyethyl]imidazol-1-yl]methyl]-1,2-oxazol-5-yl]ethynyl]-1-bicyclo[1.1.1]pentanyl]propan-1-ol?

The IUPAC name of 3-[3-[2-[3-[[2-[(1S)-1-hydroxyethyl]imidazol-1-yl]methyl]-1,2-oxazol-5-yl]ethynyl]-1-bicyclo[1.1.1]pentanyl]propan-1-ol (CID 142479535) is 3-[3-[2-[3-[[2-[(1S)-1-hydroxyethyl]imidazol-1-yl]methyl]-1,2-oxazol-5-yl]ethynyl]-1-bicyclo[1.1.1]pentanyl]propan-1-ol.

What is the SMILES notation for 3-[3-[2-[3-[[2-[(1S)-1-hydroxyethyl]imidazol-1-yl]methyl]-1,2-oxazol-5-yl]ethynyl]-1-bicyclo[1.1.1]pentanyl]propan-1-ol?

The canonical SMILES for 3-[3-[2-[3-[[2-[(1S)-1-hydroxyethyl]imidazol-1-yl]methyl]-1,2-oxazol-5-yl]ethynyl]-1-bicyclo[1.1.1]pentanyl]propan-1-ol is C[C@H](O)c1nccn1Cc1cc(C#CC23CC(CCCO)(C2)C3)on1.

What is the InChIKey of 3-[3-[2-[3-[[2-[(1S)-1-hydroxyethyl]imidazol-1-yl]methyl]-1,2-oxazol-5-yl]ethynyl]-1-bicyclo[1.1.1]pentanyl]propan-1-ol?

The InChIKey is GLDLTCJQIDYFSE-YCMKEVRSSA-N. The full InChI is InChI=1S/C19H23N3O3/c1-14(24)17-20-6-7-22(17)10-15-9-16(25-21-15)3-5-19-11-18(12-19,13-19)4-2-8-23/h6-7,9,14,23-24H,2,4,8,10-13H2,1H3/t14-,18?,19?/m0/s1.

What are the key properties of 3-[3-[2-[3-[[2-[(1S)-1-hydroxyethyl]imidazol-1-yl]methyl]-1,2-oxazol-5-yl]ethynyl]-1-bicyclo[1.1.1]pentanyl]propan-1-ol?

3-[3-[2-[3-[[2-[(1S)-1-hydroxyethyl]imidazol-1-yl]methyl]-1,2-oxazol-5-yl]ethynyl]-1-bicyclo[1.1.1]pentanyl]propan-1-ol has a molecular weight of 341.41 g/mol, XLogP of 2.27, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[3-[2-[3-[[2-[(1S)-1-hydroxyethyl]imidazol-1-yl]methyl]-1,2-oxazol-5-yl]ethynyl]-1-bicyclo[1.1.1]pentanyl]propan-1-ol is sourced from PubChem (CID 142479535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).