5-(2-chloro-5-fluorophenyl)-3-(piperazin-1-ylmethyl)-1,2-oxazole

C14H15ClFN3O — CID 173171037

IUPAC5-(2-chloro-5-fluorophenyl)-3-(piperazin-1-ylmethyl)-1,2-oxazole
SMILESFc1ccc(Cl)c(-c2cc(CN3CCNCC3)no2)c1
InChIInChI=1S/C14H15ClFN3O/c15-13-2-1-10(16)7-12(13)14-8-11(18-20-14)9-19-5-3-17-4-6-19/h1-2,7-8,17H,3-6,9H2
InChIKeyNTHGXDRHFWUXOJ-UHFFFAOYSA-N
MW295.75 g/mol
LogP2.54
Rot. Bonds3

About 5-(2-chloro-5-fluorophenyl)-3-(piperazin-1-ylmethyl)-1,2-oxazole

5-(2-chloro-5-fluorophenyl)-3-(piperazin-1-ylmethyl)-1,2-oxazole (PubChem CID 173171037) has the molecular formula C14H15ClFN3O and a molecular weight of 295.75 g/mol. Its IUPAC name is 5-(2-chloro-5-fluorophenyl)-3-(piperazin-1-ylmethyl)-1,2-oxazole.

Molecular Properties

Compound Name5-(2-chloro-5-fluorophenyl)-3-(piperazin-1-ylmethyl)-1,2-oxazole
PubChem CID173171037
Molecular FormulaC14H15ClFN3O
Molecular Weight295.75 g/mol
Exact Mass295.09
IUPAC Name5-(2-chloro-5-fluorophenyl)-3-(piperazin-1-ylmethyl)-1,2-oxazole
SMILESFc1ccc(Cl)c(-c2cc(CN3CCNCC3)no2)c1
InChIInChI=1S/C14H15ClFN3O/c15-13-2-1-10(16)7-12(13)14-8-11(18-20-14)9-19-5-3-17-4-6-19/h1-2,7-8,17H,3-6,9H2
InChIKeyNTHGXDRHFWUXOJ-UHFFFAOYSA-N
XLogP2.54
TPSA41.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.75
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(2-chloro-5-fluorophenyl)-3-(piperazin-1-ylmethyl)-1,2-oxazole?
The IUPAC name of 5-(2-chloro-5-fluorophenyl)-3-(piperazin-1-ylmethyl)-1,2-oxazole (CID 173171037) is 5-(2-chloro-5-fluorophenyl)-3-(piperazin-1-ylmethyl)-1,2-oxazole.
What is the SMILES notation for 5-(2-chloro-5-fluorophenyl)-3-(piperazin-1-ylmethyl)-1,2-oxazole?
The canonical SMILES for 5-(2-chloro-5-fluorophenyl)-3-(piperazin-1-ylmethyl)-1,2-oxazole is Fc1ccc(Cl)c(-c2cc(CN3CCNCC3)no2)c1.
What is the InChIKey of 5-(2-chloro-5-fluorophenyl)-3-(piperazin-1-ylmethyl)-1,2-oxazole?
The InChIKey is NTHGXDRHFWUXOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClFN3O/c15-13-2-1-10(16)7-12(13)14-8-11(18-20-14)9-19-5-3-17-4-6-19/h1-2,7-8,17H,3-6,9H2.
What are the key properties of 5-(2-chloro-5-fluorophenyl)-3-(piperazin-1-ylmethyl)-1,2-oxazole?
5-(2-chloro-5-fluorophenyl)-3-(piperazin-1-ylmethyl)-1,2-oxazole has a molecular weight of 295.75 g/mol, XLogP of 2.54, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chloro-5-fluorophenyl)-3-(piperazin-1-ylmethyl)-1,2-oxazole is sourced from PubChem (CID 173171037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).