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

C19H17ClN4O3 — CID 19332462

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

3-(5-chloro-2-methoxyphenyl)-5-[5-[(3,5-dimethylpyrazol-1-yl)methyl]furan-2-yl]-1,2,4-oxadiazole (PubChem CID 19332462) has the molecular formula C19H17ClN4O3 and a molecular weight of 384.82 g/mol. Its IUPAC name is 3-(5-chloro-2-methoxyphenyl)-5-[5-[(3,5-dimethylpyrazol-1-yl)methyl]furan-2-yl]-1,2,4-oxadiazole.

Molecular Properties

• Compound Name: 3-(5-chloro-2-methoxyphenyl)-5-[5-[(3,5-dimethylpyrazol-1-yl)methyl]furan-2-yl]-1,2,4-oxadiazole
• PubChem CID: 19332462
• Molecular Formula: C19H17ClN4O3
• Molecular Weight: 384.82 g/mol
• Exact Mass: 384.10
• IUPAC Name: 3-(5-chloro-2-methoxyphenyl)-5-[5-[(3,5-dimethylpyrazol-1-yl)methyl]furan-2-yl]-1,2,4-oxadiazole
• SMILES: COc1ccc(Cl)cc1-c1noc(-c2ccc(Cn3nc(C)cc3C)o2)n1
• InChI: InChI=1S/C19H17ClN4O3/c1-11-8-12(2)24(22-11)10-14-5-7-17(26-14)19-21-18(23-27-19)15-9-13(20)4-6-16(15)25-3/h4-9H,10H2,1-3H3
• InChIKey: RRRSXKXRTZLJCS-UHFFFAOYSA-N
• XLogP: 4.52
• TPSA: 79.11 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	384.82
LogP ≤ 5	4.52
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 3-(5-chloro-2-methoxyphenyl)-5-[5-[(3,5-dimethylpyrazol-1-yl)methyl]furan-2-yl]-1,2,4-oxadiazole?

The IUPAC name of 3-(5-chloro-2-methoxyphenyl)-5-[5-[(3,5-dimethylpyrazol-1-yl)methyl]furan-2-yl]-1,2,4-oxadiazole (CID 19332462) is 3-(5-chloro-2-methoxyphenyl)-5-[5-[(3,5-dimethylpyrazol-1-yl)methyl]furan-2-yl]-1,2,4-oxadiazole.

What is the SMILES notation for 3-(5-chloro-2-methoxyphenyl)-5-[5-[(3,5-dimethylpyrazol-1-yl)methyl]furan-2-yl]-1,2,4-oxadiazole?

The canonical SMILES for 3-(5-chloro-2-methoxyphenyl)-5-[5-[(3,5-dimethylpyrazol-1-yl)methyl]furan-2-yl]-1,2,4-oxadiazole is COc1ccc(Cl)cc1-c1noc(-c2ccc(Cn3nc(C)cc3C)o2)n1.

What is the InChIKey of 3-(5-chloro-2-methoxyphenyl)-5-[5-[(3,5-dimethylpyrazol-1-yl)methyl]furan-2-yl]-1,2,4-oxadiazole?

The InChIKey is RRRSXKXRTZLJCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN4O3/c1-11-8-12(2)24(22-11)10-14-5-7-17(26-14)19-21-18(23-27-19)15-9-13(20)4-6-16(15)25-3/h4-9H,10H2,1-3H3.

What are the key properties of 3-(5-chloro-2-methoxyphenyl)-5-[5-[(3,5-dimethylpyrazol-1-yl)methyl]furan-2-yl]-1,2,4-oxadiazole?

3-(5-chloro-2-methoxyphenyl)-5-[5-[(3,5-dimethylpyrazol-1-yl)methyl]furan-2-yl]-1,2,4-oxadiazole has a molecular weight of 384.82 g/mol, XLogP of 4.52, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(5-chloro-2-methoxyphenyl)-5-[5-[(3,5-dimethylpyrazol-1-yl)methyl]furan-2-yl]-1,2,4-oxadiazole is sourced from PubChem (CID 19332462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).