2-(3-chlorophenyl)-5-(1-ethylpyrazol-4-yl)-1,3,4-oxadiazole

C13H11ClN4O — CID 4776587

IUPAC2-(3-chlorophenyl)-5-(1-ethylpyrazol-4-yl)-1,3,4-oxadiazole
SMILESCCn1cc(-c2nnc(-c3cccc(Cl)c3)o2)cn1
InChIInChI=1S/C13H11ClN4O/c1-2-18-8-10(7-15-18)13-17-16-12(19-13)9-4-3-5-11(14)6-9/h3-8H,2H2,1H3
InChIKeyNOHNJDFUAHSPSI-UHFFFAOYSA-N
MW274.71 g/mol
LogP3.27
Rot. Bonds3

About 2-(3-chlorophenyl)-5-(1-ethylpyrazol-4-yl)-1,3,4-oxadiazole

2-(3-chlorophenyl)-5-(1-ethylpyrazol-4-yl)-1,3,4-oxadiazole (PubChem CID 4776587) has the molecular formula C13H11ClN4O and a molecular weight of 274.71 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-5-(1-ethylpyrazol-4-yl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(3-chlorophenyl)-5-(1-ethylpyrazol-4-yl)-1,3,4-oxadiazole
PubChem CID4776587
Molecular FormulaC13H11ClN4O
Molecular Weight274.71 g/mol
Exact Mass274.06
IUPAC Name2-(3-chlorophenyl)-5-(1-ethylpyrazol-4-yl)-1,3,4-oxadiazole
SMILESCCn1cc(-c2nnc(-c3cccc(Cl)c3)o2)cn1
InChIInChI=1S/C13H11ClN4O/c1-2-18-8-10(7-15-18)13-17-16-12(19-13)9-4-3-5-11(14)6-9/h3-8H,2H2,1H3
InChIKeyNOHNJDFUAHSPSI-UHFFFAOYSA-N
XLogP3.27
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.71
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-5-(1-ethylpyrazol-4-yl)-1,3,4-oxadiazole?
The IUPAC name of 2-(3-chlorophenyl)-5-(1-ethylpyrazol-4-yl)-1,3,4-oxadiazole (CID 4776587) is 2-(3-chlorophenyl)-5-(1-ethylpyrazol-4-yl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-(3-chlorophenyl)-5-(1-ethylpyrazol-4-yl)-1,3,4-oxadiazole?
The canonical SMILES for 2-(3-chlorophenyl)-5-(1-ethylpyrazol-4-yl)-1,3,4-oxadiazole is CCn1cc(-c2nnc(-c3cccc(Cl)c3)o2)cn1.
What is the InChIKey of 2-(3-chlorophenyl)-5-(1-ethylpyrazol-4-yl)-1,3,4-oxadiazole?
The InChIKey is NOHNJDFUAHSPSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN4O/c1-2-18-8-10(7-15-18)13-17-16-12(19-13)9-4-3-5-11(14)6-9/h3-8H,2H2,1H3.
What are the key properties of 2-(3-chlorophenyl)-5-(1-ethylpyrazol-4-yl)-1,3,4-oxadiazole?
2-(3-chlorophenyl)-5-(1-ethylpyrazol-4-yl)-1,3,4-oxadiazole has a molecular weight of 274.71 g/mol, XLogP of 3.27, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-5-(1-ethylpyrazol-4-yl)-1,3,4-oxadiazole is sourced from PubChem (CID 4776587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).