3-(2-chloro-6-fluorophenyl)-5-(5-methyl-1-piperidin-4-ylpyrazol-4-yl)-1,2-oxazole

C18H18ClFN4O — CID 44580287

IUPAC3-(2-chloro-6-fluorophenyl)-5-(5-methyl-1-piperidin-4-ylpyrazol-4-yl)-1,2-oxazole
SMILESCc1c(-c2cc(-c3c(F)cccc3Cl)no2)cnn1C1CCNCC1
InChIInChI=1S/C18H18ClFN4O/c1-11-13(10-22-24(11)12-5-7-21-8-6-12)17-9-16(23-25-17)18-14(19)3-2-4-15(18)20/h2-4,9-10,12,21H,5-8H2,1H3
InChIKeyPVEBSIDPZPWPTL-UHFFFAOYSA-N
MW360.82 g/mol
LogP4.23
Rot. Bonds3

About 3-(2-chloro-6-fluorophenyl)-5-(5-methyl-1-piperidin-4-ylpyrazol-4-yl)-1,2-oxazole

3-(2-chloro-6-fluorophenyl)-5-(5-methyl-1-piperidin-4-ylpyrazol-4-yl)-1,2-oxazole (PubChem CID 44580287) has the molecular formula C18H18ClFN4O and a molecular weight of 360.82 g/mol. Its IUPAC name is 3-(2-chloro-6-fluorophenyl)-5-(5-methyl-1-piperidin-4-ylpyrazol-4-yl)-1,2-oxazole.

Molecular Properties

Compound Name3-(2-chloro-6-fluorophenyl)-5-(5-methyl-1-piperidin-4-ylpyrazol-4-yl)-1,2-oxazole
PubChem CID44580287
Molecular FormulaC18H18ClFN4O
Molecular Weight360.82 g/mol
Exact Mass360.12
IUPAC Name3-(2-chloro-6-fluorophenyl)-5-(5-methyl-1-piperidin-4-ylpyrazol-4-yl)-1,2-oxazole
SMILESCc1c(-c2cc(-c3c(F)cccc3Cl)no2)cnn1C1CCNCC1
InChIInChI=1S/C18H18ClFN4O/c1-11-13(10-22-24(11)12-5-7-21-8-6-12)17-9-16(23-25-17)18-14(19)3-2-4-15(18)20/h2-4,9-10,12,21H,5-8H2,1H3
InChIKeyPVEBSIDPZPWPTL-UHFFFAOYSA-N
XLogP4.23
TPSA55.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.82
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(2-chloro-6-fluorophenyl)-5-(5-methyl-1-piperidin-4-ylpyrazol-4-yl)-1,2-oxazole?
The IUPAC name of 3-(2-chloro-6-fluorophenyl)-5-(5-methyl-1-piperidin-4-ylpyrazol-4-yl)-1,2-oxazole (CID 44580287) is 3-(2-chloro-6-fluorophenyl)-5-(5-methyl-1-piperidin-4-ylpyrazol-4-yl)-1,2-oxazole.
What is the SMILES notation for 3-(2-chloro-6-fluorophenyl)-5-(5-methyl-1-piperidin-4-ylpyrazol-4-yl)-1,2-oxazole?
The canonical SMILES for 3-(2-chloro-6-fluorophenyl)-5-(5-methyl-1-piperidin-4-ylpyrazol-4-yl)-1,2-oxazole is Cc1c(-c2cc(-c3c(F)cccc3Cl)no2)cnn1C1CCNCC1.
What is the InChIKey of 3-(2-chloro-6-fluorophenyl)-5-(5-methyl-1-piperidin-4-ylpyrazol-4-yl)-1,2-oxazole?
The InChIKey is PVEBSIDPZPWPTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClFN4O/c1-11-13(10-22-24(11)12-5-7-21-8-6-12)17-9-16(23-25-17)18-14(19)3-2-4-15(18)20/h2-4,9-10,12,21H,5-8H2,1H3.
What are the key properties of 3-(2-chloro-6-fluorophenyl)-5-(5-methyl-1-piperidin-4-ylpyrazol-4-yl)-1,2-oxazole?
3-(2-chloro-6-fluorophenyl)-5-(5-methyl-1-piperidin-4-ylpyrazol-4-yl)-1,2-oxazole has a molecular weight of 360.82 g/mol, XLogP of 4.23, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloro-6-fluorophenyl)-5-(5-methyl-1-piperidin-4-ylpyrazol-4-yl)-1,2-oxazole is sourced from PubChem (CID 44580287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).