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

C15H16FN3O2 — CID 126758522

IUPAC1-[4-[5-(3-fluorophenyl)-1,3-oxazol-2-yl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(c2ncc(-c3cccc(F)c3)o2)CC1
InChIInChI=1S/C15H16FN3O2/c1-11(20)18-5-7-19(8-6-18)15-17-10-14(21-15)12-3-2-4-13(16)9-12/h2-4,9-10H,5-8H2,1H3
InChIKeyCJYKFYYHXMZNLV-UHFFFAOYSA-N
MW289.31 g/mol
LogP2.15
Rot. Bonds2

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

1-[4-[5-(3-fluorophenyl)-1,3-oxazol-2-yl]piperazin-1-yl]ethanone (PubChem CID 126758522) has the molecular formula C15H16FN3O2 and a molecular weight of 289.31 g/mol. Its IUPAC name is 1-[4-[5-(3-fluorophenyl)-1,3-oxazol-2-yl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[5-(3-fluorophenyl)-1,3-oxazol-2-yl]piperazin-1-yl]ethanone
PubChem CID126758522
Molecular FormulaC15H16FN3O2
Molecular Weight289.31 g/mol
Exact Mass289.12
IUPAC Name1-[4-[5-(3-fluorophenyl)-1,3-oxazol-2-yl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(c2ncc(-c3cccc(F)c3)o2)CC1
InChIInChI=1S/C15H16FN3O2/c1-11(20)18-5-7-19(8-6-18)15-17-10-14(21-15)12-3-2-4-13(16)9-12/h2-4,9-10H,5-8H2,1H3
InChIKeyCJYKFYYHXMZNLV-UHFFFAOYSA-N
XLogP2.15
TPSA49.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.31
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-Phenyl-1,3-oxazol-2-amine
CID 12707563
5-Phenyl-2-(4-(piperidin-1-yl)butyl)oxazole
CID 52946272
5-phenyl-N-(4-(4-(3-(trifluoromethyl)phenyl)piperazin-1-yl)butyl)oxazol-2-amine
CID 11711943
N-[3-[2-(4-fluoroanilino)-1,3-oxazol-5-yl]phenyl]acetamide
CID 139441299
4-fluoro-N-(5-phenyl-1,3-oxazol-2-yl)benzamide
CID 168271338
4-methyl-N-(5-phenyl-1,3-oxazol-2-yl)benzamide
CID 168273071
5-(4-Fluorophenyl)-1,3-oxazole
CID 2737480
2-Oxazolemethanamine, 5-(4-fluorophenyl)-N-methyl-, monohydrochloride
CID 3049274
2-Oxazolemethanamine, 5-(4-fluorophenyl)-N-propyl-, monohydrochloride
CID 3049289
1-Piperazineethanol, 4-((5-phenyl-2-oxazolyl)methyl)-, dihydrochloride
CID 3049293
1-Piperazineethanol, 4-((5-(4-fluorophenyl)-2-oxazolyl)methyl)-, dihydrochloride
CID 3049295
5-(4-Fluorophenyl)-1,3-oxazol-2-amine
CID 26599091

Frequently Asked Questions

What is the IUPAC name of 1-[4-[5-(3-fluorophenyl)-1,3-oxazol-2-yl]piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-[5-(3-fluorophenyl)-1,3-oxazol-2-yl]piperazin-1-yl]ethanone (CID 126758522) is 1-[4-[5-(3-fluorophenyl)-1,3-oxazol-2-yl]piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[5-(3-fluorophenyl)-1,3-oxazol-2-yl]piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-[5-(3-fluorophenyl)-1,3-oxazol-2-yl]piperazin-1-yl]ethanone is CC(=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]ethanone?
The InChIKey is CJYKFYYHXMZNLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN3O2/c1-11(20)18-5-7-19(8-6-18)15-17-10-14(21-15)12-3-2-4-13(16)9-12/h2-4,9-10H,5-8H2,1H3.
What are the key properties of 1-[4-[5-(3-fluorophenyl)-1,3-oxazol-2-yl]piperazin-1-yl]ethanone?
1-[4-[5-(3-fluorophenyl)-1,3-oxazol-2-yl]piperazin-1-yl]ethanone has a molecular weight of 289.31 g/mol, XLogP of 2.15, 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]ethanone is sourced from PubChem (CID 126758522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).