1-[(2S)-2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazin-2-yl]pyrrolidin-1-yl]-3-phenylpropan-1-one

C22H24N4O2 — CID 124996891

About 1-[(2S)-2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazin-2-yl]pyrrolidin-1-yl]-3-phenylpropan-1-one

1-[(2S)-2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazin-2-yl]pyrrolidin-1-yl]-3-phenylpropan-1-one (PubChem CID 124996891) has the molecular formula C22H24N4O2 and a molecular weight of 376.46 g/mol. Its IUPAC name is 1-[(2S)-2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazin-2-yl]pyrrolidin-1-yl]-3-phenylpropan-1-one.

Molecular Properties

• Compound Name: 1-[(2S)-2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazin-2-yl]pyrrolidin-1-yl]-3-phenylpropan-1-one
• PubChem CID: 124996891
• Molecular Formula: C22H24N4O2
• Molecular Weight: 376.46 g/mol
• Exact Mass: 376.19
• IUPAC Name: 1-[(2S)-2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazin-2-yl]pyrrolidin-1-yl]-3-phenylpropan-1-one
• SMILES: Cc1noc(C)c1-c1cncc([C@@H]2CCCN2C(=O)CCc2ccccc2)n1
• InChI: InChI=1S/C22H24N4O2/c1-15-22(16(2)28-25-15)19-14-23-13-18(24-19)20-9-6-12-26(20)21(27)11-10-17-7-4-3-5-8-17/h3-5,7-8,13-14,20H,6,9-12H2,1-2H3/t20-/m0/s1
• InChIKey: QWKLYVVUEGLFFA-FQEVSTJZSA-N
• XLogP: 4.04
• TPSA: 72.12 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	376.46
LogP ≤ 5	4.04
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazin-2-yl]pyrrolidin-1-yl]-3-phenylpropan-1-one?

The IUPAC name of 1-[(2S)-2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazin-2-yl]pyrrolidin-1-yl]-3-phenylpropan-1-one (CID 124996891) is 1-[(2S)-2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazin-2-yl]pyrrolidin-1-yl]-3-phenylpropan-1-one.

What is the SMILES notation for 1-[(2S)-2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazin-2-yl]pyrrolidin-1-yl]-3-phenylpropan-1-one?

The canonical SMILES for 1-[(2S)-2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazin-2-yl]pyrrolidin-1-yl]-3-phenylpropan-1-one is Cc1noc(C)c1-c1cncc([C@@H]2CCCN2C(=O)CCc2ccccc2)n1.

What is the InChIKey of 1-[(2S)-2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazin-2-yl]pyrrolidin-1-yl]-3-phenylpropan-1-one?

The InChIKey is QWKLYVVUEGLFFA-FQEVSTJZSA-N. The full InChI is InChI=1S/C22H24N4O2/c1-15-22(16(2)28-25-15)19-14-23-13-18(24-19)20-9-6-12-26(20)21(27)11-10-17-7-4-3-5-8-17/h3-5,7-8,13-14,20H,6,9-12H2,1-2H3/t20-/m0/s1.

What are the key properties of 1-[(2S)-2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazin-2-yl]pyrrolidin-1-yl]-3-phenylpropan-1-one?

1-[(2S)-2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazin-2-yl]pyrrolidin-1-yl]-3-phenylpropan-1-one has a molecular weight of 376.46 g/mol, XLogP of 4.04, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(2S)-2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazin-2-yl]pyrrolidin-1-yl]-3-phenylpropan-1-one is sourced from PubChem (CID 124996891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).