(3S)-1-[6-[5-[4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]pyrrolidin-3-ol

C18H20N6O2 — CID 123647625

About (3S)-1-[6-[5-[4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]pyrrolidin-3-ol

(3S)-1-[6-[5-[4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]pyrrolidin-3-ol (PubChem CID 123647625) has the molecular formula C18H20N6O2 and a molecular weight of 352.40 g/mol. Its IUPAC name is (3S)-1-[6-[5-[4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]pyrrolidin-3-ol.

Molecular Properties

• Compound Name: (3S)-1-[6-[5-[4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]pyrrolidin-3-ol
• PubChem CID: 123647625
• Molecular Formula: C18H20N6O2
• Molecular Weight: 352.40 g/mol
• Exact Mass: 352.16
• IUPAC Name: (3S)-1-[6-[5-[4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]pyrrolidin-3-ol
• SMILES: CNCc1ccc(-c2nnc(-c3cncc(N4CC[C@H](O)C4)n3)o2)cc1
• InChI: InChI=1S/C18H20N6O2/c1-19-8-12-2-4-13(5-3-12)17-22-23-18(26-17)15-9-20-10-16(21-15)24-7-6-14(25)11-24/h2-5,9-10,14,19,25H,6-8,11H2,1H3/t14-/m0/s1
• InChIKey: QFJORVZWGRQAEG-AWEZNQCLSA-N
• XLogP: 1.48
• TPSA: 100.20 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	352.40
LogP ≤ 5	1.48
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[6-[5-[4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]pyrrolidin-3-ol?

The IUPAC name of (3S)-1-[6-[5-[4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]pyrrolidin-3-ol (CID 123647625) is (3S)-1-[6-[5-[4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]pyrrolidin-3-ol.

What is the SMILES notation for (3S)-1-[6-[5-[4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]pyrrolidin-3-ol?

The canonical SMILES for (3S)-1-[6-[5-[4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]pyrrolidin-3-ol is CNCc1ccc(-c2nnc(-c3cncc(N4CC[C@H](O)C4)n3)o2)cc1.

What is the InChIKey of (3S)-1-[6-[5-[4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]pyrrolidin-3-ol?

The InChIKey is QFJORVZWGRQAEG-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H20N6O2/c1-19-8-12-2-4-13(5-3-12)17-22-23-18(26-17)15-9-20-10-16(21-15)24-7-6-14(25)11-24/h2-5,9-10,14,19,25H,6-8,11H2,1H3/t14-/m0/s1.

What are the key properties of (3S)-1-[6-[5-[4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]pyrrolidin-3-ol?

(3S)-1-[6-[5-[4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]pyrrolidin-3-ol has a molecular weight of 352.40 g/mol, XLogP of 1.48, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (3S)-1-[6-[5-[4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]pyrrolidin-3-ol is sourced from PubChem (CID 123647625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).