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

C17H16ClFN4O — CID 44580092

IUPAC3-(2-chloro-3-fluorophenyl)-5-(1-piperidin-4-ylpyrazol-4-yl)-1,2-oxazole
SMILESFc1cccc(-c2cc(-c3cnn(C4CCNCC4)c3)on2)c1Cl
InChIInChI=1S/C17H16ClFN4O/c18-17-13(2-1-3-14(17)19)15-8-16(24-22-15)11-9-21-23(10-11)12-4-6-20-7-5-12/h1-3,8-10,12,20H,4-7H2
InChIKeyOVOHNEZJVPQTDR-UHFFFAOYSA-N
MW346.79 g/mol
LogP3.92
Rot. Bonds3

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

3-(2-chloro-3-fluorophenyl)-5-(1-piperidin-4-ylpyrazol-4-yl)-1,2-oxazole (PubChem CID 44580092) has the molecular formula C17H16ClFN4O and a molecular weight of 346.79 g/mol. Its IUPAC name is 3-(2-chloro-3-fluorophenyl)-5-(1-piperidin-4-ylpyrazol-4-yl)-1,2-oxazole.

Molecular Properties

Compound Name3-(2-chloro-3-fluorophenyl)-5-(1-piperidin-4-ylpyrazol-4-yl)-1,2-oxazole
PubChem CID44580092
Molecular FormulaC17H16ClFN4O
Molecular Weight346.79 g/mol
Exact Mass346.10
IUPAC Name3-(2-chloro-3-fluorophenyl)-5-(1-piperidin-4-ylpyrazol-4-yl)-1,2-oxazole
SMILESFc1cccc(-c2cc(-c3cnn(C4CCNCC4)c3)on2)c1Cl
InChIInChI=1S/C17H16ClFN4O/c18-17-13(2-1-3-14(17)19)15-8-16(24-22-15)11-9-21-23(10-11)12-4-6-20-7-5-12/h1-3,8-10,12,20H,4-7H2
InChIKeyOVOHNEZJVPQTDR-UHFFFAOYSA-N
XLogP3.92
TPSA55.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.79
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(2-chloro-3-fluorophenyl)-5-(1-piperidin-4-ylpyrazol-4-yl)-1,2-oxazole?
The IUPAC name of 3-(2-chloro-3-fluorophenyl)-5-(1-piperidin-4-ylpyrazol-4-yl)-1,2-oxazole (CID 44580092) is 3-(2-chloro-3-fluorophenyl)-5-(1-piperidin-4-ylpyrazol-4-yl)-1,2-oxazole.
What is the SMILES notation for 3-(2-chloro-3-fluorophenyl)-5-(1-piperidin-4-ylpyrazol-4-yl)-1,2-oxazole?
The canonical SMILES for 3-(2-chloro-3-fluorophenyl)-5-(1-piperidin-4-ylpyrazol-4-yl)-1,2-oxazole is Fc1cccc(-c2cc(-c3cnn(C4CCNCC4)c3)on2)c1Cl.
What is the InChIKey of 3-(2-chloro-3-fluorophenyl)-5-(1-piperidin-4-ylpyrazol-4-yl)-1,2-oxazole?
The InChIKey is OVOHNEZJVPQTDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClFN4O/c18-17-13(2-1-3-14(17)19)15-8-16(24-22-15)11-9-21-23(10-11)12-4-6-20-7-5-12/h1-3,8-10,12,20H,4-7H2.
What are the key properties of 3-(2-chloro-3-fluorophenyl)-5-(1-piperidin-4-ylpyrazol-4-yl)-1,2-oxazole?
3-(2-chloro-3-fluorophenyl)-5-(1-piperidin-4-ylpyrazol-4-yl)-1,2-oxazole has a molecular weight of 346.79 g/mol, XLogP of 3.92, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloro-3-fluorophenyl)-5-(1-piperidin-4-ylpyrazol-4-yl)-1,2-oxazole is sourced from PubChem (CID 44580092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).