(3S,4R)-4-[(5-methyl-1H-pyrazol-3-yl)methyl]-1-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidin-3-ol

C18H21N5O2 — CID 135110500

About (3S,4R)-4-[(5-methyl-1H-pyrazol-3-yl)methyl]-1-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidin-3-ol

(3S,4R)-4-[(5-methyl-1H-pyrazol-3-yl)methyl]-1-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidin-3-ol (PubChem CID 135110500) has the molecular formula C18H21N5O2 and a molecular weight of 339.40 g/mol. Its IUPAC name is (3S,4R)-4-[(5-methyl-1H-pyrazol-3-yl)methyl]-1-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidin-3-ol.

Molecular Properties

• Compound Name: (3S,4R)-4-[(5-methyl-1H-pyrazol-3-yl)methyl]-1-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidin-3-ol
• PubChem CID: 135110500
• Molecular Formula: C18H21N5O2
• Molecular Weight: 339.40 g/mol
• Exact Mass: 339.17
• IUPAC Name: (3S,4R)-4-[(5-methyl-1H-pyrazol-3-yl)methyl]-1-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidin-3-ol
• SMILES: Cc1cc(C[C@@H]2CN(Cc3nnc(-c4ccccc4)o3)C[C@H]2O)n[nH]1
• InChI: InChI=1S/C18H21N5O2/c1-12-7-15(20-19-12)8-14-9-23(10-16(14)24)11-17-21-22-18(25-17)13-5-3-2-4-6-13/h2-7,14,16,24H,8-11H2,1H3,(H,19,20)/t14-,16-/m1/s1
• InChIKey: UMMUTIDRMAFIHZ-GDBMZVCRSA-N
• XLogP: 1.80
• TPSA: 91.07 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	339.40
LogP ≤ 5	1.80
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-4-[(5-methyl-1H-pyrazol-3-yl)methyl]-1-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidin-3-ol?

The IUPAC name of (3S,4R)-4-[(5-methyl-1H-pyrazol-3-yl)methyl]-1-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidin-3-ol (CID 135110500) is (3S,4R)-4-[(5-methyl-1H-pyrazol-3-yl)methyl]-1-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidin-3-ol.

What is the SMILES notation for (3S,4R)-4-[(5-methyl-1H-pyrazol-3-yl)methyl]-1-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidin-3-ol?

The canonical SMILES for (3S,4R)-4-[(5-methyl-1H-pyrazol-3-yl)methyl]-1-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidin-3-ol is Cc1cc(C[C@@H]2CN(Cc3nnc(-c4ccccc4)o3)C[C@H]2O)n[nH]1.

What is the InChIKey of (3S,4R)-4-[(5-methyl-1H-pyrazol-3-yl)methyl]-1-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidin-3-ol?

The InChIKey is UMMUTIDRMAFIHZ-GDBMZVCRSA-N. The full InChI is InChI=1S/C18H21N5O2/c1-12-7-15(20-19-12)8-14-9-23(10-16(14)24)11-17-21-22-18(25-17)13-5-3-2-4-6-13/h2-7,14,16,24H,8-11H2,1H3,(H,19,20)/t14-,16-/m1/s1.

What are the key properties of (3S,4R)-4-[(5-methyl-1H-pyrazol-3-yl)methyl]-1-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidin-3-ol?

(3S,4R)-4-[(5-methyl-1H-pyrazol-3-yl)methyl]-1-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidin-3-ol has a molecular weight of 339.40 g/mol, XLogP of 1.80, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (3S,4R)-4-[(5-methyl-1H-pyrazol-3-yl)methyl]-1-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidin-3-ol is sourced from PubChem (CID 135110500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).