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

C17H14ClN5O — CID 19550499

IUPAC2-[(4-chloro-3-methylpyrazol-1-yl)methyl]-5-(6-methylquinolin-2-yl)-1,3,4-oxadiazole
SMILESCc1ccc2nc(-c3nnc(Cn4cc(Cl)c(C)n4)o3)ccc2c1
InChIInChI=1S/C17H14ClN5O/c1-10-3-5-14-12(7-10)4-6-15(19-14)17-21-20-16(24-17)9-23-8-13(18)11(2)22-23/h3-8H,9H2,1-2H3
InChIKeySSNIYNYRBKIEMF-UHFFFAOYSA-N
MW339.79 g/mol
LogP3.80
Rot. Bonds3

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

2-[(4-chloro-3-methylpyrazol-1-yl)methyl]-5-(6-methylquinolin-2-yl)-1,3,4-oxadiazole (PubChem CID 19550499) has the molecular formula C17H14ClN5O and a molecular weight of 339.79 g/mol. Its IUPAC name is 2-[(4-chloro-3-methylpyrazol-1-yl)methyl]-5-(6-methylquinolin-2-yl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[(4-chloro-3-methylpyrazol-1-yl)methyl]-5-(6-methylquinolin-2-yl)-1,3,4-oxadiazole
PubChem CID19550499
Molecular FormulaC17H14ClN5O
Molecular Weight339.79 g/mol
Exact Mass339.09
IUPAC Name2-[(4-chloro-3-methylpyrazol-1-yl)methyl]-5-(6-methylquinolin-2-yl)-1,3,4-oxadiazole
SMILESCc1ccc2nc(-c3nnc(Cn4cc(Cl)c(C)n4)o3)ccc2c1
InChIInChI=1S/C17H14ClN5O/c1-10-3-5-14-12(7-10)4-6-15(19-14)17-21-20-16(24-17)9-23-8-13(18)11(2)22-23/h3-8H,9H2,1-2H3
InChIKeySSNIYNYRBKIEMF-UHFFFAOYSA-N
XLogP3.80
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 ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-chloro-3-methylpyrazol-1-yl)methyl]-5-(6-methylquinolin-2-yl)-1,3,4-oxadiazole?
The IUPAC name of 2-[(4-chloro-3-methylpyrazol-1-yl)methyl]-5-(6-methylquinolin-2-yl)-1,3,4-oxadiazole (CID 19550499) is 2-[(4-chloro-3-methylpyrazol-1-yl)methyl]-5-(6-methylquinolin-2-yl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-[(4-chloro-3-methylpyrazol-1-yl)methyl]-5-(6-methylquinolin-2-yl)-1,3,4-oxadiazole?
The canonical SMILES for 2-[(4-chloro-3-methylpyrazol-1-yl)methyl]-5-(6-methylquinolin-2-yl)-1,3,4-oxadiazole is Cc1ccc2nc(-c3nnc(Cn4cc(Cl)c(C)n4)o3)ccc2c1.
What is the InChIKey of 2-[(4-chloro-3-methylpyrazol-1-yl)methyl]-5-(6-methylquinolin-2-yl)-1,3,4-oxadiazole?
The InChIKey is SSNIYNYRBKIEMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClN5O/c1-10-3-5-14-12(7-10)4-6-15(19-14)17-21-20-16(24-17)9-23-8-13(18)11(2)22-23/h3-8H,9H2,1-2H3.
What are the key properties of 2-[(4-chloro-3-methylpyrazol-1-yl)methyl]-5-(6-methylquinolin-2-yl)-1,3,4-oxadiazole?
2-[(4-chloro-3-methylpyrazol-1-yl)methyl]-5-(6-methylquinolin-2-yl)-1,3,4-oxadiazole has a molecular weight of 339.79 g/mol, XLogP of 3.80, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chloro-3-methylpyrazol-1-yl)methyl]-5-(6-methylquinolin-2-yl)-1,3,4-oxadiazole is sourced from PubChem (CID 19550499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).