5-[(4-chloropyrazol-1-yl)methyl]-3-(2,4-dichlorophenyl)-1,2,4-oxadiazole

C12H7Cl3N4O — CID 19330336

IUPAC5-[(4-chloropyrazol-1-yl)methyl]-3-(2,4-dichlorophenyl)-1,2,4-oxadiazole
SMILESClc1ccc(-c2noc(Cn3cc(Cl)cn3)n2)c(Cl)c1
InChIInChI=1S/C12H7Cl3N4O/c13-7-1-2-9(10(15)3-7)12-17-11(20-18-12)6-19-5-8(14)4-16-19/h1-5H,6H2
InChIKeyHATORVXGLVRHMZ-UHFFFAOYSA-N
MW329.57 g/mol
LogP3.94
Rot. Bonds3

About 5-[(4-chloropyrazol-1-yl)methyl]-3-(2,4-dichlorophenyl)-1,2,4-oxadiazole

5-[(4-chloropyrazol-1-yl)methyl]-3-(2,4-dichlorophenyl)-1,2,4-oxadiazole (PubChem CID 19330336) has the molecular formula C12H7Cl3N4O and a molecular weight of 329.57 g/mol. Its IUPAC name is 5-[(4-chloropyrazol-1-yl)methyl]-3-(2,4-dichlorophenyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[(4-chloropyrazol-1-yl)methyl]-3-(2,4-dichlorophenyl)-1,2,4-oxadiazole
PubChem CID19330336
Molecular FormulaC12H7Cl3N4O
Molecular Weight329.57 g/mol
Exact Mass327.97
IUPAC Name5-[(4-chloropyrazol-1-yl)methyl]-3-(2,4-dichlorophenyl)-1,2,4-oxadiazole
SMILESClc1ccc(-c2noc(Cn3cc(Cl)cn3)n2)c(Cl)c1
InChIInChI=1S/C12H7Cl3N4O/c13-7-1-2-9(10(15)3-7)12-17-11(20-18-12)6-19-5-8(14)4-16-19/h1-5H,6H2
InChIKeyHATORVXGLVRHMZ-UHFFFAOYSA-N
XLogP3.94
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.57
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[3-(2,4-dichlorophenyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 23008067
3-(2,4-dichlorophenyl)-5-(2-phenylethyl)-1,2,4-oxadiazole
CID 19326469
1-[[3-(2,4-dichlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide
CID 38158820
1-[[3-(2-bromo-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]pyrazol-4-amine
CID 107280048
N-cyclopropyl-1-[[3-(2,4-dichlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide
CID 43928283
N-[(2-chlorophenyl)methyl]-1-[[3-(2,4-dichlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide
CID 43928340
N-(4-chlorophenyl)-1-[[3-(2,4-dichlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide
CID 43928217
[4-(3-chlorophenyl)piperazin-1-yl]-[1-[[3-(2,4-dichlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]methanone
CID 43928339
1-[[3-(2,4-dichlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]piperidine-3-carboxamide
CID 43934860
5-[2-(4-bromo-3,5-dimethylpyrazol-1-yl)ethyl]-3-(2,4-dichlorophenyl)-1,2,4-oxadiazole
CID 19326587
3-(2,4-dichlorophenyl)-5-[3-(1H-indol-3-yl)propyl]-1,2,4-oxadiazole
CID 19326477
2-[5-[3-(2,4-dichlorophenyl)-1,2,4-oxadiazol-5-yl]pentyl]isoindole-1,3-dione
CID 19326552

Frequently Asked Questions

What is the IUPAC name of 5-[(4-chloropyrazol-1-yl)methyl]-3-(2,4-dichlorophenyl)-1,2,4-oxadiazole?
The IUPAC name of 5-[(4-chloropyrazol-1-yl)methyl]-3-(2,4-dichlorophenyl)-1,2,4-oxadiazole (CID 19330336) is 5-[(4-chloropyrazol-1-yl)methyl]-3-(2,4-dichlorophenyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-[(4-chloropyrazol-1-yl)methyl]-3-(2,4-dichlorophenyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-[(4-chloropyrazol-1-yl)methyl]-3-(2,4-dichlorophenyl)-1,2,4-oxadiazole is Clc1ccc(-c2noc(Cn3cc(Cl)cn3)n2)c(Cl)c1.
What is the InChIKey of 5-[(4-chloropyrazol-1-yl)methyl]-3-(2,4-dichlorophenyl)-1,2,4-oxadiazole?
The InChIKey is HATORVXGLVRHMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7Cl3N4O/c13-7-1-2-9(10(15)3-7)12-17-11(20-18-12)6-19-5-8(14)4-16-19/h1-5H,6H2.
What are the key properties of 5-[(4-chloropyrazol-1-yl)methyl]-3-(2,4-dichlorophenyl)-1,2,4-oxadiazole?
5-[(4-chloropyrazol-1-yl)methyl]-3-(2,4-dichlorophenyl)-1,2,4-oxadiazole has a molecular weight of 329.57 g/mol, XLogP of 3.94, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-chloropyrazol-1-yl)methyl]-3-(2,4-dichlorophenyl)-1,2,4-oxadiazole is sourced from PubChem (CID 19330336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).