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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Related Compounds

3-[[4-(azetidin-3-yl)piperazin-1-yl]methyl]-5-methyl-1,2-oxazole
CID 66202944
[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]-[(1S,2R)-2-(1-methylpyrazol-4-yl)cyclopropyl]methanone
CID 95590682
4-bromo-2-methyl-5-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]pyridazin-3-one
CID 133303018
3-[[4-[(4-ethylsulfanylphenyl)methyl]-1,4-diazepan-1-yl]methyl]-5-methyl-1,2-oxazole
CID 23908201
3-[[3-[(4-chloropyrazol-1-yl)methyl]azetidin-1-yl]methyl]-5-methyl-1,2-oxazole
CID 154583036
2-[2-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]ethyl]pyridazin-3-one
CID 126913470
3-amino-1-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]propan-1-one;dihydrochloride
CID 119835222
3-[[4-[(4-methoxy-3-methylsulfanylphenyl)methyl]piperazin-1-yl]methyl]-5-methyl-1,2-oxazole
CID 75438453
(5-methylfuran-2-yl)-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]methanone
CID 56810132
4-(chloromethyl)-1-(2-fluoroethyl)pyrazole;hydrochloride
CID 126964998
3-[[4-(4-ethylphenyl)sulfonylpiperazin-1-yl]methyl]-5-methyl-1,2-oxazole
CID 9185372
1-[(5-methyl-1,2-oxazol-3-yl)methyl]azetidin-3-amine
CID 65250257

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).