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

C18H14Cl2N4O2 — CID 19326466

IUPAC3-(2,4-dichlorophenyl)-5-[5-[(3,5-dimethylpyrazol-1-yl)methyl]furan-2-yl]-1,2,4-oxadiazole
SMILESCc1cc(C)n(Cc2ccc(-c3nc(-c4ccc(Cl)cc4Cl)no3)o2)n1
InChIInChI=1S/C18H14Cl2N4O2/c1-10-7-11(2)24(22-10)9-13-4-6-16(25-13)18-21-17(23-26-18)14-5-3-12(19)8-15(14)20/h3-8H,9H2,1-2H3
InChIKeyRPLVGFXVNFRZRI-UHFFFAOYSA-N
MW389.24 g/mol
LogP5.17
Rot. Bonds4

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

3-(2,4-dichlorophenyl)-5-[5-[(3,5-dimethylpyrazol-1-yl)methyl]furan-2-yl]-1,2,4-oxadiazole (PubChem CID 19326466) has the molecular formula C18H14Cl2N4O2 and a molecular weight of 389.24 g/mol. Its IUPAC name is 3-(2,4-dichlorophenyl)-5-[5-[(3,5-dimethylpyrazol-1-yl)methyl]furan-2-yl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(2,4-dichlorophenyl)-5-[5-[(3,5-dimethylpyrazol-1-yl)methyl]furan-2-yl]-1,2,4-oxadiazole
PubChem CID19326466
Molecular FormulaC18H14Cl2N4O2
Molecular Weight389.24 g/mol
Exact Mass388.05
IUPAC Name3-(2,4-dichlorophenyl)-5-[5-[(3,5-dimethylpyrazol-1-yl)methyl]furan-2-yl]-1,2,4-oxadiazole
SMILESCc1cc(C)n(Cc2ccc(-c3nc(-c4ccc(Cl)cc4Cl)no3)o2)n1
InChIInChI=1S/C18H14Cl2N4O2/c1-10-7-11(2)24(22-10)9-13-4-6-16(25-13)18-21-17(23-26-18)14-5-3-12(19)8-15(14)20/h3-8H,9H2,1-2H3
InChIKeyRPLVGFXVNFRZRI-UHFFFAOYSA-N
XLogP5.17
TPSA69.88 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.24
LogP ≤ 55.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-(2,4-dichlorophenyl)-5-[5-[(3,5-dimethylpyrazol-1-yl)methyl]furan-2-yl]-1,2,4-oxadiazole with MolForge

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Related Compounds

3-(5-chloro-2-methoxyphenyl)-5-[5-[(3,5-dimethylpyrazol-1-yl)methyl]furan-2-yl]-1,2,4-oxadiazole
CID 19332462
5-[5-[(4-chloro-5-methyl-2-propan-2-ylphenoxy)methyl]furan-2-yl]-3-(2,4-dichlorophenyl)-1,2,4-oxadiazole
CID 19326589
3-(2,4-dichlorophenyl)-5-[5-[(4-fluorophenoxy)methyl]furan-2-yl]-1,2,4-oxadiazole
CID 19326495
3-(2,4-dichlorophenyl)-5-(1,3-dimethylpyrazol-4-yl)-1,2,4-oxadiazole
CID 19326529
3-(2,4-dichlorophenyl)-5-[5-[(4-nitrophenoxy)methyl]furan-2-yl]-1,2,4-oxadiazole
CID 19326555
5-(4-bromophenyl)-3-(2,4-dichlorophenyl)-1,2,4-oxadiazole
CID 19326479
3-(2,4-dichlorophenyl)-5-(4-methoxyphenyl)-1,2,4-oxadiazole
CID 11290188
3-[3-(2,4-dichlorophenyl)-1,2,4-oxadiazol-5-yl]-2-methylaniline
CID 100558702
5-[2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-3-(2,4-dichlorophenyl)-1,2,4-oxadiazole
CID 19326638
5-[2-(4-bromo-3,5-dimethylpyrazol-1-yl)ethyl]-3-(2,4-dichlorophenyl)-1,2,4-oxadiazole
CID 19326587
4-[5-(2,4-dichlorophenyl)-1,2,4-oxadiazol-3-yl]-2-methylaniline
CID 100559235
5-chloro-2-[3-(2-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]aniline
CID 62945327

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dichlorophenyl)-5-[5-[(3,5-dimethylpyrazol-1-yl)methyl]furan-2-yl]-1,2,4-oxadiazole?
The IUPAC name of 3-(2,4-dichlorophenyl)-5-[5-[(3,5-dimethylpyrazol-1-yl)methyl]furan-2-yl]-1,2,4-oxadiazole (CID 19326466) is 3-(2,4-dichlorophenyl)-5-[5-[(3,5-dimethylpyrazol-1-yl)methyl]furan-2-yl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-(2,4-dichlorophenyl)-5-[5-[(3,5-dimethylpyrazol-1-yl)methyl]furan-2-yl]-1,2,4-oxadiazole?
The canonical SMILES for 3-(2,4-dichlorophenyl)-5-[5-[(3,5-dimethylpyrazol-1-yl)methyl]furan-2-yl]-1,2,4-oxadiazole is Cc1cc(C)n(Cc2ccc(-c3nc(-c4ccc(Cl)cc4Cl)no3)o2)n1.
What is the InChIKey of 3-(2,4-dichlorophenyl)-5-[5-[(3,5-dimethylpyrazol-1-yl)methyl]furan-2-yl]-1,2,4-oxadiazole?
The InChIKey is RPLVGFXVNFRZRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14Cl2N4O2/c1-10-7-11(2)24(22-10)9-13-4-6-16(25-13)18-21-17(23-26-18)14-5-3-12(19)8-15(14)20/h3-8H,9H2,1-2H3.
What are the key properties of 3-(2,4-dichlorophenyl)-5-[5-[(3,5-dimethylpyrazol-1-yl)methyl]furan-2-yl]-1,2,4-oxadiazole?
3-(2,4-dichlorophenyl)-5-[5-[(3,5-dimethylpyrazol-1-yl)methyl]furan-2-yl]-1,2,4-oxadiazole has a molecular weight of 389.24 g/mol, XLogP of 5.17, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dichlorophenyl)-5-[5-[(3,5-dimethylpyrazol-1-yl)methyl]furan-2-yl]-1,2,4-oxadiazole is sourced from PubChem (CID 19326466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).