3-[(3-methoxyphenyl)methoxymethyl]-5-(5-pyrrolidin-3-yl-1H-pyrazol-3-yl)-1,2,4-oxadiazole;hydrochloride

C18H22ClN5O3 — CID 120838978

About 3-[(3-methoxyphenyl)methoxymethyl]-5-(5-pyrrolidin-3-yl-1H-pyrazol-3-yl)-1,2,4-oxadiazole;hydrochloride

3-[(3-methoxyphenyl)methoxymethyl]-5-(5-pyrrolidin-3-yl-1H-pyrazol-3-yl)-1,2,4-oxadiazole;hydrochloride (PubChem CID 120838978) has the molecular formula C18H22ClN5O3 and a molecular weight of 391.86 g/mol. Its IUPAC name is 3-[(3-methoxyphenyl)methoxymethyl]-5-(5-pyrrolidin-3-yl-1H-pyrazol-3-yl)-1,2,4-oxadiazole;hydrochloride.

Molecular Properties

• Compound Name: 3-[(3-methoxyphenyl)methoxymethyl]-5-(5-pyrrolidin-3-yl-1H-pyrazol-3-yl)-1,2,4-oxadiazole;hydrochloride
• PubChem CID: 120838978
• Molecular Formula: C18H22ClN5O3
• Molecular Weight: 391.86 g/mol
• Exact Mass: 391.14
• IUPAC Name: 3-[(3-methoxyphenyl)methoxymethyl]-5-(5-pyrrolidin-3-yl-1H-pyrazol-3-yl)-1,2,4-oxadiazole;hydrochloride
• SMILES: COc1cccc(COCc2noc(-c3cc(C4CCNC4)[nH]n3)n2)c1.Cl
• InChI: InChI=1S/C18H21N5O3.ClH/c1-24-14-4-2-3-12(7-14)10-25-11-17-20-18(26-23-17)16-8-15(21-22-16)13-5-6-19-9-13;/h2-4,7-8,13,19H,5-6,9-11H2,1H3,(H,21,22);1H
• InChIKey: JNCZWMYQJKHRIG-UHFFFAOYSA-N
• XLogP: 2.68
• TPSA: 98.09 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	391.86
LogP ≤ 5	2.68
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 3-[(3-methoxyphenyl)methoxymethyl]-5-(5-pyrrolidin-3-yl-1H-pyrazol-3-yl)-1,2,4-oxadiazole;hydrochloride?

The IUPAC name of 3-[(3-methoxyphenyl)methoxymethyl]-5-(5-pyrrolidin-3-yl-1H-pyrazol-3-yl)-1,2,4-oxadiazole;hydrochloride (CID 120838978) is 3-[(3-methoxyphenyl)methoxymethyl]-5-(5-pyrrolidin-3-yl-1H-pyrazol-3-yl)-1,2,4-oxadiazole;hydrochloride.

What is the SMILES notation for 3-[(3-methoxyphenyl)methoxymethyl]-5-(5-pyrrolidin-3-yl-1H-pyrazol-3-yl)-1,2,4-oxadiazole;hydrochloride?

The canonical SMILES for 3-[(3-methoxyphenyl)methoxymethyl]-5-(5-pyrrolidin-3-yl-1H-pyrazol-3-yl)-1,2,4-oxadiazole;hydrochloride is COc1cccc(COCc2noc(-c3cc(C4CCNC4)[nH]n3)n2)c1.Cl.

What is the InChIKey of 3-[(3-methoxyphenyl)methoxymethyl]-5-(5-pyrrolidin-3-yl-1H-pyrazol-3-yl)-1,2,4-oxadiazole;hydrochloride?

The InChIKey is JNCZWMYQJKHRIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O3.ClH/c1-24-14-4-2-3-12(7-14)10-25-11-17-20-18(26-23-17)16-8-15(21-22-16)13-5-6-19-9-13;/h2-4,7-8,13,19H,5-6,9-11H2,1H3,(H,21,22);1H.

What are the key properties of 3-[(3-methoxyphenyl)methoxymethyl]-5-(5-pyrrolidin-3-yl-1H-pyrazol-3-yl)-1,2,4-oxadiazole;hydrochloride?

3-[(3-methoxyphenyl)methoxymethyl]-5-(5-pyrrolidin-3-yl-1H-pyrazol-3-yl)-1,2,4-oxadiazole;hydrochloride has a molecular weight of 391.86 g/mol, XLogP of 2.68, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[(3-methoxyphenyl)methoxymethyl]-5-(5-pyrrolidin-3-yl-1H-pyrazol-3-yl)-1,2,4-oxadiazole;hydrochloride is sourced from PubChem (CID 120838978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).