2-[2-[(2,5-dichlorophenyl)methyl]-2,5,7-triazatricyclo[4.3.0.07,9]nona-1(6),8-dien-8-yl]-5-pyrrolidin-2-yl-1,3,4-oxadiazole

C19H18Cl2N6O — CID 137010838

IUPAC2-[2-[(2,5-dichlorophenyl)methyl]-2,5,7-triazatricyclo[4.3.0.07,9]nona-1(6),8-dien-8-yl]-5-pyrrolidin-2-yl-1,3,4-oxadiazole
SMILESClc1ccc(Cl)c(CN2CCNc3c2c2c(-c4nnc(C5CCCN5)o4)n3-2)c1
InChIInChI=1S/C19H18Cl2N6O/c20-11-3-4-12(21)10(8-11)9-26-7-6-23-17-15(26)14-16(27(14)17)19-25-24-18(28-19)13-2-1-5-22-13/h3-4,8,13,22-23H,1-2,5-7,9H2
InChIKeyQOABEWUIHTVWDE-UHFFFAOYSA-N
MW417.30 g/mol
LogP4.00
Rot. Bonds4

About 2-[2-[(2,5-dichlorophenyl)methyl]-2,5,7-triazatricyclo[4.3.0.07,9]nona-1(6),8-dien-8-yl]-5-pyrrolidin-2-yl-1,3,4-oxadiazole

2-[2-[(2,5-dichlorophenyl)methyl]-2,5,7-triazatricyclo[4.3.0.07,9]nona-1(6),8-dien-8-yl]-5-pyrrolidin-2-yl-1,3,4-oxadiazole (PubChem CID 137010838) has the molecular formula C19H18Cl2N6O and a molecular weight of 417.30 g/mol. Its IUPAC name is 2-[2-[(2,5-dichlorophenyl)methyl]-2,5,7-triazatricyclo[4.3.0.07,9]nona-1(6),8-dien-8-yl]-5-pyrrolidin-2-yl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[2-[(2,5-dichlorophenyl)methyl]-2,5,7-triazatricyclo[4.3.0.07,9]nona-1(6),8-dien-8-yl]-5-pyrrolidin-2-yl-1,3,4-oxadiazole
PubChem CID137010838
Molecular FormulaC19H18Cl2N6O
Molecular Weight417.30 g/mol
Exact Mass416.09
IUPAC Name2-[2-[(2,5-dichlorophenyl)methyl]-2,5,7-triazatricyclo[4.3.0.07,9]nona-1(6),8-dien-8-yl]-5-pyrrolidin-2-yl-1,3,4-oxadiazole
SMILESClc1ccc(Cl)c(CN2CCNc3c2c2c(-c4nnc(C5CCCN5)o4)n3-2)c1
InChIInChI=1S/C19H18Cl2N6O/c20-11-3-4-12(21)10(8-11)9-26-7-6-23-17-15(26)14-16(27(14)17)19-25-24-18(28-19)13-2-1-5-22-13/h3-4,8,13,22-23H,1-2,5-7,9H2
InChIKeyQOABEWUIHTVWDE-UHFFFAOYSA-N
XLogP4.00
TPSA71.15 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.30
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-[2-[(2,5-dichlorophenyl)methyl]-2,5,7-triazatricyclo[4.3.0.07,9]nona-1(6),8-dien-8-yl]-5-pyrrolidin-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-[2-[(2,5-dichlorophenyl)methyl]-2,5,7-triazatricyclo[4.3.0.07,9]nona-1(6),8-dien-8-yl]-5-pyrrolidin-2-yl-1,3,4-oxadiazole?
The IUPAC name of 2-[2-[(2,5-dichlorophenyl)methyl]-2,5,7-triazatricyclo[4.3.0.07,9]nona-1(6),8-dien-8-yl]-5-pyrrolidin-2-yl-1,3,4-oxadiazole (CID 137010838) is 2-[2-[(2,5-dichlorophenyl)methyl]-2,5,7-triazatricyclo[4.3.0.07,9]nona-1(6),8-dien-8-yl]-5-pyrrolidin-2-yl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[2-[(2,5-dichlorophenyl)methyl]-2,5,7-triazatricyclo[4.3.0.07,9]nona-1(6),8-dien-8-yl]-5-pyrrolidin-2-yl-1,3,4-oxadiazole?
The canonical SMILES for 2-[2-[(2,5-dichlorophenyl)methyl]-2,5,7-triazatricyclo[4.3.0.07,9]nona-1(6),8-dien-8-yl]-5-pyrrolidin-2-yl-1,3,4-oxadiazole is Clc1ccc(Cl)c(CN2CCNc3c2c2c(-c4nnc(C5CCCN5)o4)n3-2)c1.
What is the InChIKey of 2-[2-[(2,5-dichlorophenyl)methyl]-2,5,7-triazatricyclo[4.3.0.07,9]nona-1(6),8-dien-8-yl]-5-pyrrolidin-2-yl-1,3,4-oxadiazole?
The InChIKey is QOABEWUIHTVWDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18Cl2N6O/c20-11-3-4-12(21)10(8-11)9-26-7-6-23-17-15(26)14-16(27(14)17)19-25-24-18(28-19)13-2-1-5-22-13/h3-4,8,13,22-23H,1-2,5-7,9H2.
What are the key properties of 2-[2-[(2,5-dichlorophenyl)methyl]-2,5,7-triazatricyclo[4.3.0.07,9]nona-1(6),8-dien-8-yl]-5-pyrrolidin-2-yl-1,3,4-oxadiazole?
2-[2-[(2,5-dichlorophenyl)methyl]-2,5,7-triazatricyclo[4.3.0.07,9]nona-1(6),8-dien-8-yl]-5-pyrrolidin-2-yl-1,3,4-oxadiazole has a molecular weight of 417.30 g/mol, XLogP of 4.00, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2,5-dichlorophenyl)methyl]-2,5,7-triazatricyclo[4.3.0.07,9]nona-1(6),8-dien-8-yl]-5-pyrrolidin-2-yl-1,3,4-oxadiazole is sourced from PubChem (CID 137010838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).