5-(5-chloro-2-fluorophenyl)-3-[3-(2-ethylpyrazol-3-yl)phenyl]-1,2,4-oxadiazole

C19H14ClFN4O — CID 53138581

IUPAC5-(5-chloro-2-fluorophenyl)-3-[3-(2-ethylpyrazol-3-yl)phenyl]-1,2,4-oxadiazole
SMILESCCn1nccc1-c1cccc(-c2noc(-c3cc(Cl)ccc3F)n2)c1
InChIInChI=1S/C19H14ClFN4O/c1-2-25-17(8-9-22-25)12-4-3-5-13(10-12)18-23-19(26-24-18)15-11-14(20)6-7-16(15)21/h3-11H,2H2,1H3
InChIKeySTEFLTSGDQCYBC-UHFFFAOYSA-N
MW368.80 g/mol
LogP5.08
Rot. Bonds4

About 5-(5-chloro-2-fluorophenyl)-3-[3-(2-ethylpyrazol-3-yl)phenyl]-1,2,4-oxadiazole

5-(5-chloro-2-fluorophenyl)-3-[3-(2-ethylpyrazol-3-yl)phenyl]-1,2,4-oxadiazole (PubChem CID 53138581) has the molecular formula C19H14ClFN4O and a molecular weight of 368.80 g/mol. Its IUPAC name is 5-(5-chloro-2-fluorophenyl)-3-[3-(2-ethylpyrazol-3-yl)phenyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(5-chloro-2-fluorophenyl)-3-[3-(2-ethylpyrazol-3-yl)phenyl]-1,2,4-oxadiazole
PubChem CID53138581
Molecular FormulaC19H14ClFN4O
Molecular Weight368.80 g/mol
Exact Mass368.08
IUPAC Name5-(5-chloro-2-fluorophenyl)-3-[3-(2-ethylpyrazol-3-yl)phenyl]-1,2,4-oxadiazole
SMILESCCn1nccc1-c1cccc(-c2noc(-c3cc(Cl)ccc3F)n2)c1
InChIInChI=1S/C19H14ClFN4O/c1-2-25-17(8-9-22-25)12-4-3-5-13(10-12)18-23-19(26-24-18)15-11-14(20)6-7-16(15)21/h3-11H,2H2,1H3
InChIKeySTEFLTSGDQCYBC-UHFFFAOYSA-N
XLogP5.08
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.80
LogP ≤ 55.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(5-chloro-2-fluorophenyl)-3-[3-(2-ethylpyrazol-3-yl)phenyl]-1,2,4-oxadiazole?
The IUPAC name of 5-(5-chloro-2-fluorophenyl)-3-[3-(2-ethylpyrazol-3-yl)phenyl]-1,2,4-oxadiazole (CID 53138581) is 5-(5-chloro-2-fluorophenyl)-3-[3-(2-ethylpyrazol-3-yl)phenyl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-(5-chloro-2-fluorophenyl)-3-[3-(2-ethylpyrazol-3-yl)phenyl]-1,2,4-oxadiazole?
The canonical SMILES for 5-(5-chloro-2-fluorophenyl)-3-[3-(2-ethylpyrazol-3-yl)phenyl]-1,2,4-oxadiazole is CCn1nccc1-c1cccc(-c2noc(-c3cc(Cl)ccc3F)n2)c1.
What is the InChIKey of 5-(5-chloro-2-fluorophenyl)-3-[3-(2-ethylpyrazol-3-yl)phenyl]-1,2,4-oxadiazole?
The InChIKey is STEFLTSGDQCYBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClFN4O/c1-2-25-17(8-9-22-25)12-4-3-5-13(10-12)18-23-19(26-24-18)15-11-14(20)6-7-16(15)21/h3-11H,2H2,1H3.
What are the key properties of 5-(5-chloro-2-fluorophenyl)-3-[3-(2-ethylpyrazol-3-yl)phenyl]-1,2,4-oxadiazole?
5-(5-chloro-2-fluorophenyl)-3-[3-(2-ethylpyrazol-3-yl)phenyl]-1,2,4-oxadiazole has a molecular weight of 368.80 g/mol, XLogP of 5.08, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-chloro-2-fluorophenyl)-3-[3-(2-ethylpyrazol-3-yl)phenyl]-1,2,4-oxadiazole is sourced from PubChem (CID 53138581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).