N-[(2S)-1-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-1-oxo-2-[(2R)-3-oxo-5-phenyl-2-propan-2-yl-1-(pyridine-2-carbonyl)-2H-pyrazin-4-yl]-3-phenylpropan-2-yl]acetamide

C35H37N5O5 — CID 152550962

About N-[(2S)-1-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-1-oxo-2-[(2R)-3-oxo-5-phenyl-2-propan-2-yl-1-(pyridine-2-carbonyl)-2H-pyrazin-4-yl]-3-phenylpropan-2-yl]acetamide

N-[(2S)-1-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-1-oxo-2-[(2R)-3-oxo-5-phenyl-2-propan-2-yl-1-(pyridine-2-carbonyl)-2H-pyrazin-4-yl]-3-phenylpropan-2-yl]acetamide (PubChem CID 152550962) has the molecular formula C35H37N5O5 and a molecular weight of 607.71 g/mol. Its IUPAC name is N-[(2S)-1-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-1-oxo-2-[(2R)-3-oxo-5-phenyl-2-propan-2-yl-1-(pyridine-2-carbonyl)-2H-pyrazin-4-yl]-3-phenylpropan-2-yl]acetamide.

Molecular Properties

• Compound Name: N-[(2S)-1-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-1-oxo-2-[(2R)-3-oxo-5-phenyl-2-propan-2-yl-1-(pyridine-2-carbonyl)-2H-pyrazin-4-yl]-3-phenylpropan-2-yl]acetamide
• PubChem CID: 152550962
• Molecular Formula: C35H37N5O5
• Molecular Weight: 607.71 g/mol
• Exact Mass: 607.28
• IUPAC Name: N-[(2S)-1-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-1-oxo-2-[(2R)-3-oxo-5-phenyl-2-propan-2-yl-1-(pyridine-2-carbonyl)-2H-pyrazin-4-yl]-3-phenylpropan-2-yl]acetamide
• SMILES: CC(=O)N[C@](Cc1ccccc1)(C(=O)C1=NC(C)(C)CO1)N1C(=O)[C@@H](C(C)C)N(C(=O)c2ccccn2)C=C1c1ccccc1
• InChI: InChI=1S/C35H37N5O5/c1-23(2)29-33(44)40(28(26-16-10-7-11-17-26)21-39(29)32(43)27-18-12-13-19-36-27)35(37-24(3)41,20-25-14-8-6-9-15-25)30(42)31-38-34(4,5)22-45-31/h6-19,21,23,29H,20,22H2,1-5H3,(H,37,41)/t29-,35+/m1/s1
• InChIKey: YNMALINWHOEFRB-UYHPJTEGSA-N
• XLogP: 4.24
• TPSA: 121.27 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	607.71
LogP ≤ 5	4.24
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-1-oxo-2-[(2R)-3-oxo-5-phenyl-2-propan-2-yl-1-(pyridine-2-carbonyl)-2H-pyrazin-4-yl]-3-phenylpropan-2-yl]acetamide?

The IUPAC name of N-[(2S)-1-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-1-oxo-2-[(2R)-3-oxo-5-phenyl-2-propan-2-yl-1-(pyridine-2-carbonyl)-2H-pyrazin-4-yl]-3-phenylpropan-2-yl]acetamide (CID 152550962) is N-[(2S)-1-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-1-oxo-2-[(2R)-3-oxo-5-phenyl-2-propan-2-yl-1-(pyridine-2-carbonyl)-2H-pyrazin-4-yl]-3-phenylpropan-2-yl]acetamide.

What is the SMILES notation for N-[(2S)-1-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-1-oxo-2-[(2R)-3-oxo-5-phenyl-2-propan-2-yl-1-(pyridine-2-carbonyl)-2H-pyrazin-4-yl]-3-phenylpropan-2-yl]acetamide?

The canonical SMILES for N-[(2S)-1-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-1-oxo-2-[(2R)-3-oxo-5-phenyl-2-propan-2-yl-1-(pyridine-2-carbonyl)-2H-pyrazin-4-yl]-3-phenylpropan-2-yl]acetamide is CC(=O)N[C@](Cc1ccccc1)(C(=O)C1=NC(C)(C)CO1)N1C(=O)[C@@H](C(C)C)N(C(=O)c2ccccn2)C=C1c1ccccc1.

What is the InChIKey of N-[(2S)-1-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-1-oxo-2-[(2R)-3-oxo-5-phenyl-2-propan-2-yl-1-(pyridine-2-carbonyl)-2H-pyrazin-4-yl]-3-phenylpropan-2-yl]acetamide?

The InChIKey is YNMALINWHOEFRB-UYHPJTEGSA-N. The full InChI is InChI=1S/C35H37N5O5/c1-23(2)29-33(44)40(28(26-16-10-7-11-17-26)21-39(29)32(43)27-18-12-13-19-36-27)35(37-24(3)41,20-25-14-8-6-9-15-25)30(42)31-38-34(4,5)22-45-31/h6-19,21,23,29H,20,22H2,1-5H3,(H,37,41)/t29-,35+/m1/s1.

What are the key properties of N-[(2S)-1-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-1-oxo-2-[(2R)-3-oxo-5-phenyl-2-propan-2-yl-1-(pyridine-2-carbonyl)-2H-pyrazin-4-yl]-3-phenylpropan-2-yl]acetamide?

N-[(2S)-1-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-1-oxo-2-[(2R)-3-oxo-5-phenyl-2-propan-2-yl-1-(pyridine-2-carbonyl)-2H-pyrazin-4-yl]-3-phenylpropan-2-yl]acetamide has a molecular weight of 607.71 g/mol, XLogP of 4.24, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2S)-1-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-1-oxo-2-[(2R)-3-oxo-5-phenyl-2-propan-2-yl-1-(pyridine-2-carbonyl)-2H-pyrazin-4-yl]-3-phenylpropan-2-yl]acetamide is sourced from PubChem (CID 152550962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).