4-[[3-[3-(4-fluorophenyl)-1H-1,2,4-triazol-5-yl]piperidin-1-yl]methyl]-3,5-dimethyl-1,2-oxazole

C19H22FN5O — CID 53192110

IUPAC4-[[3-[3-(4-fluorophenyl)-1H-1,2,4-triazol-5-yl]piperidin-1-yl]methyl]-3,5-dimethyl-1,2-oxazole
SMILESCc1noc(C)c1CN1CCCC(c2nc(-c3ccc(F)cc3)n[nH]2)C1
InChIInChI=1S/C19H22FN5O/c1-12-17(13(2)26-24-12)11-25-9-3-4-15(10-25)19-21-18(22-23-19)14-5-7-16(20)8-6-14/h5-8,15H,3-4,9-11H2,1-2H3,(H,21,22,23)
InChIKeyRALIWAXJMOPQBQ-UHFFFAOYSA-N
MW355.42 g/mol
LogP3.60
Rot. Bonds4

About 4-[[3-[3-(4-fluorophenyl)-1H-1,2,4-triazol-5-yl]piperidin-1-yl]methyl]-3,5-dimethyl-1,2-oxazole

4-[[3-[3-(4-fluorophenyl)-1H-1,2,4-triazol-5-yl]piperidin-1-yl]methyl]-3,5-dimethyl-1,2-oxazole (PubChem CID 53192110) has the molecular formula C19H22FN5O and a molecular weight of 355.42 g/mol. Its IUPAC name is 4-[[3-[3-(4-fluorophenyl)-1H-1,2,4-triazol-5-yl]piperidin-1-yl]methyl]-3,5-dimethyl-1,2-oxazole.

Molecular Properties

Compound Name4-[[3-[3-(4-fluorophenyl)-1H-1,2,4-triazol-5-yl]piperidin-1-yl]methyl]-3,5-dimethyl-1,2-oxazole
PubChem CID53192110
Molecular FormulaC19H22FN5O
Molecular Weight355.42 g/mol
Exact Mass355.18
IUPAC Name4-[[3-[3-(4-fluorophenyl)-1H-1,2,4-triazol-5-yl]piperidin-1-yl]methyl]-3,5-dimethyl-1,2-oxazole
SMILESCc1noc(C)c1CN1CCCC(c2nc(-c3ccc(F)cc3)n[nH]2)C1
InChIInChI=1S/C19H22FN5O/c1-12-17(13(2)26-24-12)11-25-9-3-4-15(10-25)19-21-18(22-23-19)14-5-7-16(20)8-6-14/h5-8,15H,3-4,9-11H2,1-2H3,(H,21,22,23)
InChIKeyRALIWAXJMOPQBQ-UHFFFAOYSA-N
XLogP3.60
TPSA70.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.42
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[[3-[3-(4-fluorophenyl)-1H-1,2,4-triazol-5-yl]piperidin-1-yl]methyl]-3,5-dimethyl-1,2-oxazole?
The IUPAC name of 4-[[3-[3-(4-fluorophenyl)-1H-1,2,4-triazol-5-yl]piperidin-1-yl]methyl]-3,5-dimethyl-1,2-oxazole (CID 53192110) is 4-[[3-[3-(4-fluorophenyl)-1H-1,2,4-triazol-5-yl]piperidin-1-yl]methyl]-3,5-dimethyl-1,2-oxazole.
What is the SMILES notation for 4-[[3-[3-(4-fluorophenyl)-1H-1,2,4-triazol-5-yl]piperidin-1-yl]methyl]-3,5-dimethyl-1,2-oxazole?
The canonical SMILES for 4-[[3-[3-(4-fluorophenyl)-1H-1,2,4-triazol-5-yl]piperidin-1-yl]methyl]-3,5-dimethyl-1,2-oxazole is Cc1noc(C)c1CN1CCCC(c2nc(-c3ccc(F)cc3)n[nH]2)C1.
What is the InChIKey of 4-[[3-[3-(4-fluorophenyl)-1H-1,2,4-triazol-5-yl]piperidin-1-yl]methyl]-3,5-dimethyl-1,2-oxazole?
The InChIKey is RALIWAXJMOPQBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN5O/c1-12-17(13(2)26-24-12)11-25-9-3-4-15(10-25)19-21-18(22-23-19)14-5-7-16(20)8-6-14/h5-8,15H,3-4,9-11H2,1-2H3,(H,21,22,23).
What are the key properties of 4-[[3-[3-(4-fluorophenyl)-1H-1,2,4-triazol-5-yl]piperidin-1-yl]methyl]-3,5-dimethyl-1,2-oxazole?
4-[[3-[3-(4-fluorophenyl)-1H-1,2,4-triazol-5-yl]piperidin-1-yl]methyl]-3,5-dimethyl-1,2-oxazole has a molecular weight of 355.42 g/mol, XLogP of 3.60, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-[3-(4-fluorophenyl)-1H-1,2,4-triazol-5-yl]piperidin-1-yl]methyl]-3,5-dimethyl-1,2-oxazole is sourced from PubChem (CID 53192110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).