1-[4-[5-(3-fluorophenyl)-1,3-oxazol-2-yl]piperazin-1-yl]-2,2-dimethylpropan-1-one

C18H22FN3O2 — CID 126750424

IUPAC1-[4-[5-(3-fluorophenyl)-1,3-oxazol-2-yl]piperazin-1-yl]-2,2-dimethylpropan-1-one
SMILESCC(C)(C)C(=O)N1CCN(c2ncc(-c3cccc(F)c3)o2)CC1
InChIInChI=1S/C18H22FN3O2/c1-18(2,3)16(23)21-7-9-22(10-8-21)17-20-12-15(24-17)13-5-4-6-14(19)11-13/h4-6,11-12H,7-10H2,1-3H3
InChIKeyHUOVHFODFIKNOB-UHFFFAOYSA-N
MW331.39 g/mol
LogP3.18
Rot. Bonds2

About 1-[4-[5-(3-fluorophenyl)-1,3-oxazol-2-yl]piperazin-1-yl]-2,2-dimethylpropan-1-one

1-[4-[5-(3-fluorophenyl)-1,3-oxazol-2-yl]piperazin-1-yl]-2,2-dimethylpropan-1-one (PubChem CID 126750424) has the molecular formula C18H22FN3O2 and a molecular weight of 331.39 g/mol. Its IUPAC name is 1-[4-[5-(3-fluorophenyl)-1,3-oxazol-2-yl]piperazin-1-yl]-2,2-dimethylpropan-1-one.

Molecular Properties

Compound Name1-[4-[5-(3-fluorophenyl)-1,3-oxazol-2-yl]piperazin-1-yl]-2,2-dimethylpropan-1-one
PubChem CID126750424
Molecular FormulaC18H22FN3O2
Molecular Weight331.39 g/mol
Exact Mass331.17
IUPAC Name1-[4-[5-(3-fluorophenyl)-1,3-oxazol-2-yl]piperazin-1-yl]-2,2-dimethylpropan-1-one
SMILESCC(C)(C)C(=O)N1CCN(c2ncc(-c3cccc(F)c3)o2)CC1
InChIInChI=1S/C18H22FN3O2/c1-18(2,3)16(23)21-7-9-22(10-8-21)17-20-12-15(24-17)13-5-4-6-14(19)11-13/h4-6,11-12H,7-10H2,1-3H3
InChIKeyHUOVHFODFIKNOB-UHFFFAOYSA-N
XLogP3.18
TPSA49.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.39
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[4-[5-(3-fluorophenyl)-1,3-oxazol-2-yl]piperazin-1-yl]-2,2-dimethylpropan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 12707563
CID 12707563
CID 52946272
CID 52946272
CID 11711943
CID 11711943
CID 139441299
CID 139441299
CID 168271338
CID 168271338
CID 168273071
CID 168273071
CID 53593876
CID 53593876
CID 3049293
CID 3049293
CID 3049295
CID 3049295
CID 26599091
CID 26599091
CID 43162406
CID 43162406
CID 7998966
CID 7998966

Frequently Asked Questions

What is the IUPAC name of 1-[4-[5-(3-fluorophenyl)-1,3-oxazol-2-yl]piperazin-1-yl]-2,2-dimethylpropan-1-one?
The IUPAC name of 1-[4-[5-(3-fluorophenyl)-1,3-oxazol-2-yl]piperazin-1-yl]-2,2-dimethylpropan-1-one (CID 126750424) is 1-[4-[5-(3-fluorophenyl)-1,3-oxazol-2-yl]piperazin-1-yl]-2,2-dimethylpropan-1-one.
What is the SMILES notation for 1-[4-[5-(3-fluorophenyl)-1,3-oxazol-2-yl]piperazin-1-yl]-2,2-dimethylpropan-1-one?
The canonical SMILES for 1-[4-[5-(3-fluorophenyl)-1,3-oxazol-2-yl]piperazin-1-yl]-2,2-dimethylpropan-1-one is CC(C)(C)C(=O)N1CCN(c2ncc(-c3cccc(F)c3)o2)CC1.
What is the InChIKey of 1-[4-[5-(3-fluorophenyl)-1,3-oxazol-2-yl]piperazin-1-yl]-2,2-dimethylpropan-1-one?
The InChIKey is HUOVHFODFIKNOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN3O2/c1-18(2,3)16(23)21-7-9-22(10-8-21)17-20-12-15(24-17)13-5-4-6-14(19)11-13/h4-6,11-12H,7-10H2,1-3H3.
What are the key properties of 1-[4-[5-(3-fluorophenyl)-1,3-oxazol-2-yl]piperazin-1-yl]-2,2-dimethylpropan-1-one?
1-[4-[5-(3-fluorophenyl)-1,3-oxazol-2-yl]piperazin-1-yl]-2,2-dimethylpropan-1-one has a molecular weight of 331.39 g/mol, XLogP of 3.18, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[5-(3-fluorophenyl)-1,3-oxazol-2-yl]piperazin-1-yl]-2,2-dimethylpropan-1-one is sourced from PubChem (CID 126750424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).