2-(4-chloro-1-ethylpyrazol-3-yl)-5-(6-methylquinolin-2-yl)-1,3,4-oxadiazole

C17H14ClN5O — CID 19540548

IUPAC2-(4-chloro-1-ethylpyrazol-3-yl)-5-(6-methylquinolin-2-yl)-1,3,4-oxadiazole
SMILESCCn1cc(Cl)c(-c2nnc(-c3ccc4cc(C)ccc4n3)o2)n1
InChIInChI=1S/C17H14ClN5O/c1-3-23-9-12(18)15(22-23)17-21-20-16(24-17)14-7-5-11-8-10(2)4-6-13(11)19-14/h4-9H,3H2,1-2H3
InChIKeySIOIPBZJZBZIRA-UHFFFAOYSA-N
MW339.79 g/mol
LogP4.13
Rot. Bonds3

About 2-(4-chloro-1-ethylpyrazol-3-yl)-5-(6-methylquinolin-2-yl)-1,3,4-oxadiazole

2-(4-chloro-1-ethylpyrazol-3-yl)-5-(6-methylquinolin-2-yl)-1,3,4-oxadiazole (PubChem CID 19540548) has the molecular formula C17H14ClN5O and a molecular weight of 339.79 g/mol. Its IUPAC name is 2-(4-chloro-1-ethylpyrazol-3-yl)-5-(6-methylquinolin-2-yl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(4-chloro-1-ethylpyrazol-3-yl)-5-(6-methylquinolin-2-yl)-1,3,4-oxadiazole
PubChem CID19540548
Molecular FormulaC17H14ClN5O
Molecular Weight339.79 g/mol
Exact Mass339.09
IUPAC Name2-(4-chloro-1-ethylpyrazol-3-yl)-5-(6-methylquinolin-2-yl)-1,3,4-oxadiazole
SMILESCCn1cc(Cl)c(-c2nnc(-c3ccc4cc(C)ccc4n3)o2)n1
InChIInChI=1S/C17H14ClN5O/c1-3-23-9-12(18)15(22-23)17-21-20-16(24-17)14-7-5-11-8-10(2)4-6-13(11)19-14/h4-9H,3H2,1-2H3
InChIKeySIOIPBZJZBZIRA-UHFFFAOYSA-N
XLogP4.13
TPSA69.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.79
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-(4-chloro-1-ethylpyrazol-3-yl)-5-(6-methylquinolin-2-yl)-1,3,4-oxadiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-1-ethylpyrazol-3-yl)-5-(6-methylquinolin-2-yl)-1,3,4-oxadiazole?
The IUPAC name of 2-(4-chloro-1-ethylpyrazol-3-yl)-5-(6-methylquinolin-2-yl)-1,3,4-oxadiazole (CID 19540548) is 2-(4-chloro-1-ethylpyrazol-3-yl)-5-(6-methylquinolin-2-yl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-(4-chloro-1-ethylpyrazol-3-yl)-5-(6-methylquinolin-2-yl)-1,3,4-oxadiazole?
The canonical SMILES for 2-(4-chloro-1-ethylpyrazol-3-yl)-5-(6-methylquinolin-2-yl)-1,3,4-oxadiazole is CCn1cc(Cl)c(-c2nnc(-c3ccc4cc(C)ccc4n3)o2)n1.
What is the InChIKey of 2-(4-chloro-1-ethylpyrazol-3-yl)-5-(6-methylquinolin-2-yl)-1,3,4-oxadiazole?
The InChIKey is SIOIPBZJZBZIRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClN5O/c1-3-23-9-12(18)15(22-23)17-21-20-16(24-17)14-7-5-11-8-10(2)4-6-13(11)19-14/h4-9H,3H2,1-2H3.
What are the key properties of 2-(4-chloro-1-ethylpyrazol-3-yl)-5-(6-methylquinolin-2-yl)-1,3,4-oxadiazole?
2-(4-chloro-1-ethylpyrazol-3-yl)-5-(6-methylquinolin-2-yl)-1,3,4-oxadiazole has a molecular weight of 339.79 g/mol, XLogP of 4.13, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-1-ethylpyrazol-3-yl)-5-(6-methylquinolin-2-yl)-1,3,4-oxadiazole is sourced from PubChem (CID 19540548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).