5-(4-chlorophenyl)-3-[3-(2-methylpyrazol-3-yl)phenyl]-1,2,4-oxadiazole

C18H13ClN4O — CID 53138476

IUPAC5-(4-chlorophenyl)-3-[3-(2-methylpyrazol-3-yl)phenyl]-1,2,4-oxadiazole
SMILESCn1nccc1-c1cccc(-c2noc(-c3ccc(Cl)cc3)n2)c1
InChIInChI=1S/C18H13ClN4O/c1-23-16(9-10-20-23)13-3-2-4-14(11-13)17-21-18(24-22-17)12-5-7-15(19)8-6-12/h2-11H,1H3
InChIKeyYHVSIQNJHGZCLV-UHFFFAOYSA-N
MW336.78 g/mol
LogP4.46
Rot. Bonds3

About 5-(4-chlorophenyl)-3-[3-(2-methylpyrazol-3-yl)phenyl]-1,2,4-oxadiazole

5-(4-chlorophenyl)-3-[3-(2-methylpyrazol-3-yl)phenyl]-1,2,4-oxadiazole (PubChem CID 53138476) has the molecular formula C18H13ClN4O and a molecular weight of 336.78 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-3-[3-(2-methylpyrazol-3-yl)phenyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(4-chlorophenyl)-3-[3-(2-methylpyrazol-3-yl)phenyl]-1,2,4-oxadiazole
PubChem CID53138476
Molecular FormulaC18H13ClN4O
Molecular Weight336.78 g/mol
Exact Mass336.08
IUPAC Name5-(4-chlorophenyl)-3-[3-(2-methylpyrazol-3-yl)phenyl]-1,2,4-oxadiazole
SMILESCn1nccc1-c1cccc(-c2noc(-c3ccc(Cl)cc3)n2)c1
InChIInChI=1S/C18H13ClN4O/c1-23-16(9-10-20-23)13-3-2-4-14(11-13)17-21-18(24-22-17)12-5-7-15(19)8-6-12/h2-11H,1H3
InChIKeyYHVSIQNJHGZCLV-UHFFFAOYSA-N
XLogP4.46
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.78
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-3-[3-(2-methylpyrazol-3-yl)phenyl]-1,2,4-oxadiazole?
The IUPAC name of 5-(4-chlorophenyl)-3-[3-(2-methylpyrazol-3-yl)phenyl]-1,2,4-oxadiazole (CID 53138476) is 5-(4-chlorophenyl)-3-[3-(2-methylpyrazol-3-yl)phenyl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-(4-chlorophenyl)-3-[3-(2-methylpyrazol-3-yl)phenyl]-1,2,4-oxadiazole?
The canonical SMILES for 5-(4-chlorophenyl)-3-[3-(2-methylpyrazol-3-yl)phenyl]-1,2,4-oxadiazole is Cn1nccc1-c1cccc(-c2noc(-c3ccc(Cl)cc3)n2)c1.
What is the InChIKey of 5-(4-chlorophenyl)-3-[3-(2-methylpyrazol-3-yl)phenyl]-1,2,4-oxadiazole?
The InChIKey is YHVSIQNJHGZCLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClN4O/c1-23-16(9-10-20-23)13-3-2-4-14(11-13)17-21-18(24-22-17)12-5-7-15(19)8-6-12/h2-11H,1H3.
What are the key properties of 5-(4-chlorophenyl)-3-[3-(2-methylpyrazol-3-yl)phenyl]-1,2,4-oxadiazole?
5-(4-chlorophenyl)-3-[3-(2-methylpyrazol-3-yl)phenyl]-1,2,4-oxadiazole has a molecular weight of 336.78 g/mol, XLogP of 4.46, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-3-[3-(2-methylpyrazol-3-yl)phenyl]-1,2,4-oxadiazole is sourced from PubChem (CID 53138476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).