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

C15H22FN5O — CID 136562462

IUPAC3-[[4-[[1-(2-fluoroethyl)pyrazol-4-yl]methyl]piperazin-1-yl]methyl]-5-methyl-1,2-oxazole
SMILESCc1cc(CN2CCN(Cc3cnn(CCF)c3)CC2)no1
InChIInChI=1S/C15H22FN5O/c1-13-8-15(18-22-13)12-20-6-4-19(5-7-20)10-14-9-17-21(11-14)3-2-16/h8-9,11H,2-7,10,12H2,1H3
InChIKeyRNPDFKVGZZGXEK-UHFFFAOYSA-N
MW307.37 g/mol
LogP1.47
Rot. Bonds6

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

3-[[4-[[1-(2-fluoroethyl)pyrazol-4-yl]methyl]piperazin-1-yl]methyl]-5-methyl-1,2-oxazole (PubChem CID 136562462) has the molecular formula C15H22FN5O and a molecular weight of 307.37 g/mol. Its IUPAC name is 3-[[4-[[1-(2-fluoroethyl)pyrazol-4-yl]methyl]piperazin-1-yl]methyl]-5-methyl-1,2-oxazole.

Molecular Properties

Compound Name3-[[4-[[1-(2-fluoroethyl)pyrazol-4-yl]methyl]piperazin-1-yl]methyl]-5-methyl-1,2-oxazole
PubChem CID136562462
Molecular FormulaC15H22FN5O
Molecular Weight307.37 g/mol
Exact Mass307.18
IUPAC Name3-[[4-[[1-(2-fluoroethyl)pyrazol-4-yl]methyl]piperazin-1-yl]methyl]-5-methyl-1,2-oxazole
SMILESCc1cc(CN2CCN(Cc3cnn(CCF)c3)CC2)no1
InChIInChI=1S/C15H22FN5O/c1-13-8-15(18-22-13)12-20-6-4-19(5-7-20)10-14-9-17-21(11-14)3-2-16/h8-9,11H,2-7,10,12H2,1H3
InChIKeyRNPDFKVGZZGXEK-UHFFFAOYSA-N
XLogP1.47
TPSA50.33 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.37
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[[4-[[1-(2-fluoroethyl)pyrazol-4-yl]methyl]piperazin-1-yl]methyl]-5-methyl-1,2-oxazole?
The IUPAC name of 3-[[4-[[1-(2-fluoroethyl)pyrazol-4-yl]methyl]piperazin-1-yl]methyl]-5-methyl-1,2-oxazole (CID 136562462) is 3-[[4-[[1-(2-fluoroethyl)pyrazol-4-yl]methyl]piperazin-1-yl]methyl]-5-methyl-1,2-oxazole.
What is the SMILES notation for 3-[[4-[[1-(2-fluoroethyl)pyrazol-4-yl]methyl]piperazin-1-yl]methyl]-5-methyl-1,2-oxazole?
The canonical SMILES for 3-[[4-[[1-(2-fluoroethyl)pyrazol-4-yl]methyl]piperazin-1-yl]methyl]-5-methyl-1,2-oxazole is Cc1cc(CN2CCN(Cc3cnn(CCF)c3)CC2)no1.
What is the InChIKey of 3-[[4-[[1-(2-fluoroethyl)pyrazol-4-yl]methyl]piperazin-1-yl]methyl]-5-methyl-1,2-oxazole?
The InChIKey is RNPDFKVGZZGXEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FN5O/c1-13-8-15(18-22-13)12-20-6-4-19(5-7-20)10-14-9-17-21(11-14)3-2-16/h8-9,11H,2-7,10,12H2,1H3.
What are the key properties of 3-[[4-[[1-(2-fluoroethyl)pyrazol-4-yl]methyl]piperazin-1-yl]methyl]-5-methyl-1,2-oxazole?
3-[[4-[[1-(2-fluoroethyl)pyrazol-4-yl]methyl]piperazin-1-yl]methyl]-5-methyl-1,2-oxazole has a molecular weight of 307.37 g/mol, XLogP of 1.47, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-[[1-(2-fluoroethyl)pyrazol-4-yl]methyl]piperazin-1-yl]methyl]-5-methyl-1,2-oxazole is sourced from PubChem (CID 136562462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).