[2-[(3-fluorophenoxy)methyl]-1,3-oxazol-4-yl]-(4-phenylpiperazin-1-yl)methanone

C21H20FN3O3 — CID 26402311

IUPAC[2-[(3-fluorophenoxy)methyl]-1,3-oxazol-4-yl]-(4-phenylpiperazin-1-yl)methanone
SMILESO=C(c1coc(COc2cccc(F)c2)n1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C21H20FN3O3/c22-16-5-4-8-18(13-16)27-15-20-23-19(14-28-20)21(26)25-11-9-24(10-12-25)17-6-2-1-3-7-17/h1-8,13-14H,9-12,15H2
InChIKeyZVVNGZMOBXYHII-UHFFFAOYSA-N
MW381.41 g/mol
LogP3.36
Rot. Bonds5

About [2-[(3-fluorophenoxy)methyl]-1,3-oxazol-4-yl]-(4-phenylpiperazin-1-yl)methanone

[2-[(3-fluorophenoxy)methyl]-1,3-oxazol-4-yl]-(4-phenylpiperazin-1-yl)methanone (PubChem CID 26402311) has the molecular formula C21H20FN3O3 and a molecular weight of 381.41 g/mol. Its IUPAC name is [2-[(3-fluorophenoxy)methyl]-1,3-oxazol-4-yl]-(4-phenylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[2-[(3-fluorophenoxy)methyl]-1,3-oxazol-4-yl]-(4-phenylpiperazin-1-yl)methanone
PubChem CID26402311
Molecular FormulaC21H20FN3O3
Molecular Weight381.41 g/mol
Exact Mass381.15
IUPAC Name[2-[(3-fluorophenoxy)methyl]-1,3-oxazol-4-yl]-(4-phenylpiperazin-1-yl)methanone
SMILESO=C(c1coc(COc2cccc(F)c2)n1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C21H20FN3O3/c22-16-5-4-8-18(13-16)27-15-20-23-19(14-28-20)21(26)25-11-9-24(10-12-25)17-6-2-1-3-7-17/h1-8,13-14H,9-12,15H2
InChIKeyZVVNGZMOBXYHII-UHFFFAOYSA-N
XLogP3.36
TPSA58.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.41
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-[(3-fluorophenoxy)methyl]-1,3-oxazol-4-yl]-(4-phenylpiperazin-1-yl)methanone?
The IUPAC name of [2-[(3-fluorophenoxy)methyl]-1,3-oxazol-4-yl]-(4-phenylpiperazin-1-yl)methanone (CID 26402311) is [2-[(3-fluorophenoxy)methyl]-1,3-oxazol-4-yl]-(4-phenylpiperazin-1-yl)methanone.
What is the SMILES notation for [2-[(3-fluorophenoxy)methyl]-1,3-oxazol-4-yl]-(4-phenylpiperazin-1-yl)methanone?
The canonical SMILES for [2-[(3-fluorophenoxy)methyl]-1,3-oxazol-4-yl]-(4-phenylpiperazin-1-yl)methanone is O=C(c1coc(COc2cccc(F)c2)n1)N1CCN(c2ccccc2)CC1.
What is the InChIKey of [2-[(3-fluorophenoxy)methyl]-1,3-oxazol-4-yl]-(4-phenylpiperazin-1-yl)methanone?
The InChIKey is ZVVNGZMOBXYHII-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN3O3/c22-16-5-4-8-18(13-16)27-15-20-23-19(14-28-20)21(26)25-11-9-24(10-12-25)17-6-2-1-3-7-17/h1-8,13-14H,9-12,15H2.
What are the key properties of [2-[(3-fluorophenoxy)methyl]-1,3-oxazol-4-yl]-(4-phenylpiperazin-1-yl)methanone?
[2-[(3-fluorophenoxy)methyl]-1,3-oxazol-4-yl]-(4-phenylpiperazin-1-yl)methanone has a molecular weight of 381.41 g/mol, XLogP of 3.36, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(3-fluorophenoxy)methyl]-1,3-oxazol-4-yl]-(4-phenylpiperazin-1-yl)methanone is sourced from PubChem (CID 26402311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).