2-[1-(4-chloro-3-methylpyrazol-1-yl)ethyl]-5-(6-methylquinolin-2-yl)-1,3,4-oxadiazole

C18H16ClN5O — CID 19552775

IUPAC2-[1-(4-chloro-3-methylpyrazol-1-yl)ethyl]-5-(6-methylquinolin-2-yl)-1,3,4-oxadiazole
SMILESCc1ccc2nc(-c3nnc(C(C)n4cc(Cl)c(C)n4)o3)ccc2c1
InChIInChI=1S/C18H16ClN5O/c1-10-4-6-15-13(8-10)5-7-16(20-15)18-22-21-17(25-18)12(3)24-9-14(19)11(2)23-24/h4-9,12H,1-3H3
InChIKeySGBNLVYFVJEOFT-UHFFFAOYSA-N
MW353.81 g/mol
LogP4.36
Rot. Bonds3

About 2-[1-(4-chloro-3-methylpyrazol-1-yl)ethyl]-5-(6-methylquinolin-2-yl)-1,3,4-oxadiazole

2-[1-(4-chloro-3-methylpyrazol-1-yl)ethyl]-5-(6-methylquinolin-2-yl)-1,3,4-oxadiazole (PubChem CID 19552775) has the molecular formula C18H16ClN5O and a molecular weight of 353.81 g/mol. Its IUPAC name is 2-[1-(4-chloro-3-methylpyrazol-1-yl)ethyl]-5-(6-methylquinolin-2-yl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[1-(4-chloro-3-methylpyrazol-1-yl)ethyl]-5-(6-methylquinolin-2-yl)-1,3,4-oxadiazole
PubChem CID19552775
Molecular FormulaC18H16ClN5O
Molecular Weight353.81 g/mol
Exact Mass353.10
IUPAC Name2-[1-(4-chloro-3-methylpyrazol-1-yl)ethyl]-5-(6-methylquinolin-2-yl)-1,3,4-oxadiazole
SMILESCc1ccc2nc(-c3nnc(C(C)n4cc(Cl)c(C)n4)o3)ccc2c1
InChIInChI=1S/C18H16ClN5O/c1-10-4-6-15-13(8-10)5-7-16(20-15)18-22-21-17(25-18)12(3)24-9-14(19)11(2)23-24/h4-9,12H,1-3H3
InChIKeySGBNLVYFVJEOFT-UHFFFAOYSA-N
XLogP4.36
TPSA69.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.81
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-chloro-3-methylpyrazol-1-yl)ethyl]-5-(6-methylquinolin-2-yl)-1,3,4-oxadiazole?
The IUPAC name of 2-[1-(4-chloro-3-methylpyrazol-1-yl)ethyl]-5-(6-methylquinolin-2-yl)-1,3,4-oxadiazole (CID 19552775) is 2-[1-(4-chloro-3-methylpyrazol-1-yl)ethyl]-5-(6-methylquinolin-2-yl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-[1-(4-chloro-3-methylpyrazol-1-yl)ethyl]-5-(6-methylquinolin-2-yl)-1,3,4-oxadiazole?
The canonical SMILES for 2-[1-(4-chloro-3-methylpyrazol-1-yl)ethyl]-5-(6-methylquinolin-2-yl)-1,3,4-oxadiazole is Cc1ccc2nc(-c3nnc(C(C)n4cc(Cl)c(C)n4)o3)ccc2c1.
What is the InChIKey of 2-[1-(4-chloro-3-methylpyrazol-1-yl)ethyl]-5-(6-methylquinolin-2-yl)-1,3,4-oxadiazole?
The InChIKey is SGBNLVYFVJEOFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN5O/c1-10-4-6-15-13(8-10)5-7-16(20-15)18-22-21-17(25-18)12(3)24-9-14(19)11(2)23-24/h4-9,12H,1-3H3.
What are the key properties of 2-[1-(4-chloro-3-methylpyrazol-1-yl)ethyl]-5-(6-methylquinolin-2-yl)-1,3,4-oxadiazole?
2-[1-(4-chloro-3-methylpyrazol-1-yl)ethyl]-5-(6-methylquinolin-2-yl)-1,3,4-oxadiazole has a molecular weight of 353.81 g/mol, XLogP of 4.36, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-chloro-3-methylpyrazol-1-yl)ethyl]-5-(6-methylquinolin-2-yl)-1,3,4-oxadiazole is sourced from PubChem (CID 19552775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).