pyrazin-2-yl-[(3S)-3-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]methanone

C16H14N6O2 — CID 51137843

About pyrazin-2-yl-[(3S)-3-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]methanone

pyrazin-2-yl-[(3S)-3-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]methanone (PubChem CID 51137843) has the molecular formula C16H14N6O2 and a molecular weight of 322.33 g/mol. Its IUPAC name is pyrazin-2-yl-[(3S)-3-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]methanone.

Molecular Properties

• Compound Name: pyrazin-2-yl-[(3S)-3-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]methanone
• PubChem CID: 51137843
• Molecular Formula: C16H14N6O2
• Molecular Weight: 322.33 g/mol
• Exact Mass: 322.12
• IUPAC Name: pyrazin-2-yl-[(3S)-3-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]methanone
• SMILES: O=C(c1cnccn1)N1CC[C@H](c2nnc(-c3cccnc3)o2)C1
• InChI: InChI=1S/C16H14N6O2/c23-16(13-9-18-5-6-19-13)22-7-3-12(10-22)15-21-20-14(24-15)11-2-1-4-17-8-11/h1-2,4-6,8-9,12H,3,7,10H2/t12-/m0/s1
• InChIKey: IPWHHFXGOKOKGN-LBPRGKRZSA-N
• XLogP: 1.55
• TPSA: 97.90 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 3
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	322.33
LogP ≤ 5	1.55
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of pyrazin-2-yl-[(3S)-3-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]methanone?

The IUPAC name of pyrazin-2-yl-[(3S)-3-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]methanone (CID 51137843) is pyrazin-2-yl-[(3S)-3-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]methanone.

What is the SMILES notation for pyrazin-2-yl-[(3S)-3-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]methanone?

The canonical SMILES for pyrazin-2-yl-[(3S)-3-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]methanone is O=C(c1cnccn1)N1CC[C@H](c2nnc(-c3cccnc3)o2)C1.

What is the InChIKey of pyrazin-2-yl-[(3S)-3-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]methanone?

The InChIKey is IPWHHFXGOKOKGN-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H14N6O2/c23-16(13-9-18-5-6-19-13)22-7-3-12(10-22)15-21-20-14(24-15)11-2-1-4-17-8-11/h1-2,4-6,8-9,12H,3,7,10H2/t12-/m0/s1.

What are the key properties of pyrazin-2-yl-[(3S)-3-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]methanone?

pyrazin-2-yl-[(3S)-3-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]methanone has a molecular weight of 322.33 g/mol, XLogP of 1.55, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for pyrazin-2-yl-[(3S)-3-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 51137843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).