3-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-5-methyl-1,2-oxazole

C15H18FN3O — CID 78807657

IUPAC3-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-5-methyl-1,2-oxazole
SMILESCc1cc(CN2CCN(c3ccccc3F)CC2)no1
InChIInChI=1S/C15H18FN3O/c1-12-10-13(17-20-12)11-18-6-8-19(9-7-18)15-5-3-2-4-14(15)16/h2-5,10H,6-9,11H2,1H3
InChIKeyYVIUFLYDIBPUKM-UHFFFAOYSA-N
MW275.33 g/mol
LogP2.44
Rot. Bonds3

About 3-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-5-methyl-1,2-oxazole

3-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-5-methyl-1,2-oxazole (PubChem CID 78807657) has the molecular formula C15H18FN3O and a molecular weight of 275.33 g/mol. Its IUPAC name is 3-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-5-methyl-1,2-oxazole.

Molecular Properties

Compound Name3-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-5-methyl-1,2-oxazole
PubChem CID78807657
Molecular FormulaC15H18FN3O
Molecular Weight275.33 g/mol
Exact Mass275.14
IUPAC Name3-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-5-methyl-1,2-oxazole
SMILESCc1cc(CN2CCN(c3ccccc3F)CC2)no1
InChIInChI=1S/C15H18FN3O/c1-12-10-13(17-20-12)11-18-6-8-19(9-7-18)15-5-3-2-4-14(15)16/h2-5,10H,6-9,11H2,1H3
InChIKeyYVIUFLYDIBPUKM-UHFFFAOYSA-N
XLogP2.44
TPSA32.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.33
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-methyl-N-(4-piperidin-1-ylphenyl)-1,2-oxazole-3-carboxamide
CID 2814205
1-(2-Fluorophenyl)-4-[(5-phenyl-3-isoxazolyl)methyl]piperazine
CID 1484771
5-Methylisoxazol-3-yl 4-phenylpiperazinyl ketone
CID 3245439
1-[(3,5-Dimethyl-4-isoxazolyl)sulfonyl]-4-phenylpiperazine
CID 3368289
1-(5-Cyclopropyl-1,2-oxazole-3-carbonyl)-4-(4-fluorophenyl)piperazine
CID 5307250
4-(4-Fluorophenyl)piperazinyl 5-(2-methylpropyl)isoxazol-3-yl ketone
CID 5308520
(E)-2-[4-[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl-3-methyl-1,2-oxazol-5-yl]-N,N-dimethylethenamine
CID 6257345
[4-(4-Fluorophenyl)piperazin-1-yl]-(3-methyl-1,2-oxazol-5-yl)methanone
CID 8065346
1-(4-Fluorophenyl)-4-{1-[(5-propyl-3-isoxazolyl)carbonyl]-3-piperidinyl}piperazine
CID 24790497
5-[4-[4-(2-fluorophenyl)piperazin-1-yl]butyl]-3-[(E)-2-phenylethenyl]-1,2-oxazole;hydrochloride
CID 45259628
N,5-dimethyl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-1,2-oxazole-3-carboxamide
CID 24856178
1-[(5-Methyl-3-isoxazolyl)carbonyl]-4-(4-nitrophenyl)piperazine
CID 2931706

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-5-methyl-1,2-oxazole?
The IUPAC name of 3-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-5-methyl-1,2-oxazole (CID 78807657) is 3-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-5-methyl-1,2-oxazole.
What is the SMILES notation for 3-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-5-methyl-1,2-oxazole?
The canonical SMILES for 3-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-5-methyl-1,2-oxazole is Cc1cc(CN2CCN(c3ccccc3F)CC2)no1.
What is the InChIKey of 3-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-5-methyl-1,2-oxazole?
The InChIKey is YVIUFLYDIBPUKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3O/c1-12-10-13(17-20-12)11-18-6-8-19(9-7-18)15-5-3-2-4-14(15)16/h2-5,10H,6-9,11H2,1H3.
What are the key properties of 3-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-5-methyl-1,2-oxazole?
3-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-5-methyl-1,2-oxazole has a molecular weight of 275.33 g/mol, XLogP of 2.44, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-5-methyl-1,2-oxazole is sourced from PubChem (CID 78807657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).