2-(3-fluorophenyl)-4-[(2-propylimidazol-1-yl)methyl]-1,3-oxazole

C16H16FN3O — CID 56666320

IUPAC2-(3-fluorophenyl)-4-[(2-propylimidazol-1-yl)methyl]-1,3-oxazole
SMILESCCCc1nccn1Cc1coc(-c2cccc(F)c2)n1
InChIInChI=1S/C16H16FN3O/c1-2-4-15-18-7-8-20(15)10-14-11-21-16(19-14)12-5-3-6-13(17)9-12/h3,5-9,11H,2,4,10H2,1H3
InChIKeyHHRVYMFSGSXKGC-UHFFFAOYSA-N
MW285.32 g/mol
LogP3.68
Rot. Bonds5

About 2-(3-fluorophenyl)-4-[(2-propylimidazol-1-yl)methyl]-1,3-oxazole

2-(3-fluorophenyl)-4-[(2-propylimidazol-1-yl)methyl]-1,3-oxazole (PubChem CID 56666320) has the molecular formula C16H16FN3O and a molecular weight of 285.32 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-4-[(2-propylimidazol-1-yl)methyl]-1,3-oxazole.

Molecular Properties

Compound Name2-(3-fluorophenyl)-4-[(2-propylimidazol-1-yl)methyl]-1,3-oxazole
PubChem CID56666320
Molecular FormulaC16H16FN3O
Molecular Weight285.32 g/mol
Exact Mass285.13
IUPAC Name2-(3-fluorophenyl)-4-[(2-propylimidazol-1-yl)methyl]-1,3-oxazole
SMILESCCCc1nccn1Cc1coc(-c2cccc(F)c2)n1
InChIInChI=1S/C16H16FN3O/c1-2-4-15-18-7-8-20(15)10-14-11-21-16(19-14)12-5-3-6-13(17)9-12/h3,5-9,11H,2,4,10H2,1H3
InChIKeyHHRVYMFSGSXKGC-UHFFFAOYSA-N
XLogP3.68
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.32
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-4-[(2-propylimidazol-1-yl)methyl]-1,3-oxazole?
The IUPAC name of 2-(3-fluorophenyl)-4-[(2-propylimidazol-1-yl)methyl]-1,3-oxazole (CID 56666320) is 2-(3-fluorophenyl)-4-[(2-propylimidazol-1-yl)methyl]-1,3-oxazole.
What is the SMILES notation for 2-(3-fluorophenyl)-4-[(2-propylimidazol-1-yl)methyl]-1,3-oxazole?
The canonical SMILES for 2-(3-fluorophenyl)-4-[(2-propylimidazol-1-yl)methyl]-1,3-oxazole is CCCc1nccn1Cc1coc(-c2cccc(F)c2)n1.
What is the InChIKey of 2-(3-fluorophenyl)-4-[(2-propylimidazol-1-yl)methyl]-1,3-oxazole?
The InChIKey is HHRVYMFSGSXKGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN3O/c1-2-4-15-18-7-8-20(15)10-14-11-21-16(19-14)12-5-3-6-13(17)9-12/h3,5-9,11H,2,4,10H2,1H3.
What are the key properties of 2-(3-fluorophenyl)-4-[(2-propylimidazol-1-yl)methyl]-1,3-oxazole?
2-(3-fluorophenyl)-4-[(2-propylimidazol-1-yl)methyl]-1,3-oxazole has a molecular weight of 285.32 g/mol, XLogP of 3.68, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-4-[(2-propylimidazol-1-yl)methyl]-1,3-oxazole is sourced from PubChem (CID 56666320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).