[5-(4-fluorophenyl)-1,2-oxazol-4-yl]-(4-methylpiperazin-1-yl)methanone

C15H16FN3O2 — CID 110647763

IUPAC[5-(4-fluorophenyl)-1,2-oxazol-4-yl]-(4-methylpiperazin-1-yl)methanone
SMILESCN1CCN(C(=O)c2cnoc2-c2ccc(F)cc2)CC1
InChIInChI=1S/C15H16FN3O2/c1-18-6-8-19(9-7-18)15(20)13-10-17-21-14(13)11-2-4-12(16)5-3-11/h2-5,10H,6-9H2,1H3
InChIKeyNFJTWOHHXGCNJS-UHFFFAOYSA-N
MW289.31 g/mol
LogP1.87
Rot. Bonds2

About [5-(4-fluorophenyl)-1,2-oxazol-4-yl]-(4-methylpiperazin-1-yl)methanone

[5-(4-fluorophenyl)-1,2-oxazol-4-yl]-(4-methylpiperazin-1-yl)methanone (PubChem CID 110647763) has the molecular formula C15H16FN3O2 and a molecular weight of 289.31 g/mol. Its IUPAC name is [5-(4-fluorophenyl)-1,2-oxazol-4-yl]-(4-methylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[5-(4-fluorophenyl)-1,2-oxazol-4-yl]-(4-methylpiperazin-1-yl)methanone
PubChem CID110647763
Molecular FormulaC15H16FN3O2
Molecular Weight289.31 g/mol
Exact Mass289.12
IUPAC Name[5-(4-fluorophenyl)-1,2-oxazol-4-yl]-(4-methylpiperazin-1-yl)methanone
SMILESCN1CCN(C(=O)c2cnoc2-c2ccc(F)cc2)CC1
InChIInChI=1S/C15H16FN3O2/c1-18-6-8-19(9-7-18)15(20)13-10-17-21-14(13)11-2-4-12(16)5-3-11/h2-5,10H,6-9H2,1H3
InChIKeyNFJTWOHHXGCNJS-UHFFFAOYSA-N
XLogP1.87
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 ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[5-(4-fluorophenyl)-1,2-oxazole-4-carbonyl]piperazine-1-carbaldehyde
CID 110647825
[5-(4-methylphenyl)-1,2-oxazol-4-yl]-(4-methylpiperidin-1-yl)methanone
CID 110647508
[5-(3,4-difluorophenyl)-1,2-oxazol-4-yl]-piperidin-1-ylmethanone
CID 110647460
[3-(4-fluorophenyl)-7-methylpyrazolo[1,5-a]pyrimidin-6-yl]-(4-methylpiperazin-1-yl)methanone
CID 43865279
[3-(4-fluorophenyl)-4-[(1S)-1-hydroxyethyl]-1,2-oxazol-5-yl]-(4-methylpiperazin-1-yl)methanone
CID 100630826
N-cyclopentyl-5-(4-fluorophenyl)-1,2-oxazole-4-carboxamide
CID 110647434
(4-benzyl-4-hydroxypiperidin-1-yl)-[5-(4-methylphenyl)-1,2-oxazol-4-yl]methanone
CID 59170036
[2-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-6-yl]-(4-methylpiperazin-1-yl)methanone
CID 134798241
[5-(2-methylphenyl)-1,2-oxazol-4-yl]-piperazin-1-ylmethanone
CID 95474291
(5-phenyl-1,2-oxazol-4-yl)-[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]methanone
CID 74231447
oxolan-2-yl-[4-(5-phenyl-1,2-oxazole-4-carbonyl)-1,4-diazepan-1-yl]methanone
CID 119074966
[(2R)-oxolan-2-yl]-[4-(5-phenyl-1,2-oxazole-4-carbonyl)-1,4-diazepan-1-yl]methanone
CID 126454402

Frequently Asked Questions

What is the IUPAC name of [5-(4-fluorophenyl)-1,2-oxazol-4-yl]-(4-methylpiperazin-1-yl)methanone?
The IUPAC name of [5-(4-fluorophenyl)-1,2-oxazol-4-yl]-(4-methylpiperazin-1-yl)methanone (CID 110647763) is [5-(4-fluorophenyl)-1,2-oxazol-4-yl]-(4-methylpiperazin-1-yl)methanone.
What is the SMILES notation for [5-(4-fluorophenyl)-1,2-oxazol-4-yl]-(4-methylpiperazin-1-yl)methanone?
The canonical SMILES for [5-(4-fluorophenyl)-1,2-oxazol-4-yl]-(4-methylpiperazin-1-yl)methanone is CN1CCN(C(=O)c2cnoc2-c2ccc(F)cc2)CC1.
What is the InChIKey of [5-(4-fluorophenyl)-1,2-oxazol-4-yl]-(4-methylpiperazin-1-yl)methanone?
The InChIKey is NFJTWOHHXGCNJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN3O2/c1-18-6-8-19(9-7-18)15(20)13-10-17-21-14(13)11-2-4-12(16)5-3-11/h2-5,10H,6-9H2,1H3.
What are the key properties of [5-(4-fluorophenyl)-1,2-oxazol-4-yl]-(4-methylpiperazin-1-yl)methanone?
[5-(4-fluorophenyl)-1,2-oxazol-4-yl]-(4-methylpiperazin-1-yl)methanone has a molecular weight of 289.31 g/mol, XLogP of 1.87, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-fluorophenyl)-1,2-oxazol-4-yl]-(4-methylpiperazin-1-yl)methanone is sourced from PubChem (CID 110647763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).