(2R)-2-[3-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-1,2,4-oxadiazol-5-yl]morpholine;hydrochloride

C18H22ClN5O2 — CID 120840936

About (2R)-2-[3-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-1,2,4-oxadiazol-5-yl]morpholine;hydrochloride

(2R)-2-[3-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-1,2,4-oxadiazol-5-yl]morpholine;hydrochloride (PubChem CID 120840936) has the molecular formula C18H22ClN5O2 and a molecular weight of 375.86 g/mol. Its IUPAC name is (2R)-2-[3-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-1,2,4-oxadiazol-5-yl]morpholine;hydrochloride.

Molecular Properties

• Compound Name: (2R)-2-[3-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-1,2,4-oxadiazol-5-yl]morpholine;hydrochloride
• PubChem CID: 120840936
• Molecular Formula: C18H22ClN5O2
• Molecular Weight: 375.86 g/mol
• Exact Mass: 375.15
• IUPAC Name: (2R)-2-[3-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-1,2,4-oxadiazol-5-yl]morpholine;hydrochloride
• SMILES: Cc1cc(C)n(Cc2cccc(-c3noc([C@H]4CNCCO4)n3)c2)n1.Cl
• InChI: InChI=1S/C18H21N5O2.ClH/c1-12-8-13(2)23(21-12)11-14-4-3-5-15(9-14)17-20-18(25-22-17)16-10-19-6-7-24-16;/h3-5,8-9,16,19H,6-7,10-11H2,1-2H3;1H/t16-;/m1./s1
• InChIKey: UZQUPYISVUAHAZ-PKLMIRHRSA-N
• XLogP: 2.68
• TPSA: 78.00 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	375.86
LogP ≤ 5	2.68
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[3-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-1,2,4-oxadiazol-5-yl]morpholine;hydrochloride?

The IUPAC name of (2R)-2-[3-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-1,2,4-oxadiazol-5-yl]morpholine;hydrochloride (CID 120840936) is (2R)-2-[3-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-1,2,4-oxadiazol-5-yl]morpholine;hydrochloride.

What is the SMILES notation for (2R)-2-[3-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-1,2,4-oxadiazol-5-yl]morpholine;hydrochloride?

The canonical SMILES for (2R)-2-[3-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-1,2,4-oxadiazol-5-yl]morpholine;hydrochloride is Cc1cc(C)n(Cc2cccc(-c3noc([C@H]4CNCCO4)n3)c2)n1.Cl.

What is the InChIKey of (2R)-2-[3-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-1,2,4-oxadiazol-5-yl]morpholine;hydrochloride?

The InChIKey is UZQUPYISVUAHAZ-PKLMIRHRSA-N. The full InChI is InChI=1S/C18H21N5O2.ClH/c1-12-8-13(2)23(21-12)11-14-4-3-5-15(9-14)17-20-18(25-22-17)16-10-19-6-7-24-16;/h3-5,8-9,16,19H,6-7,10-11H2,1-2H3;1H/t16-;/m1./s1.

What are the key properties of (2R)-2-[3-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-1,2,4-oxadiazol-5-yl]morpholine;hydrochloride?

(2R)-2-[3-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-1,2,4-oxadiazol-5-yl]morpholine;hydrochloride has a molecular weight of 375.86 g/mol, XLogP of 2.68, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-2-[3-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-1,2,4-oxadiazol-5-yl]morpholine;hydrochloride is sourced from PubChem (CID 120840936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).