5-[6-[3-[3-[(tert-butylamino)methyl]phenyl]-1,2-oxazol-5-yl]-5-methylpyrazin-2-yl]-1-propan-2-ylpyridin-2-one;molecular hydrogen

C27H35N5O2 — CID 158434733

About 5-[6-[3-[3-[(tert-butylamino)methyl]phenyl]-1,2-oxazol-5-yl]-5-methylpyrazin-2-yl]-1-propan-2-ylpyridin-2-one;molecular hydrogen

5-[6-[3-[3-[(tert-butylamino)methyl]phenyl]-1,2-oxazol-5-yl]-5-methylpyrazin-2-yl]-1-propan-2-ylpyridin-2-one;molecular hydrogen (PubChem CID 158434733) has the molecular formula C27H35N5O2 and a molecular weight of 461.61 g/mol. Its IUPAC name is 5-[6-[3-[3-[(tert-butylamino)methyl]phenyl]-1,2-oxazol-5-yl]-5-methylpyrazin-2-yl]-1-propan-2-ylpyridin-2-one;molecular hydrogen.

Molecular Properties

• Compound Name: 5-[6-[3-[3-[(tert-butylamino)methyl]phenyl]-1,2-oxazol-5-yl]-5-methylpyrazin-2-yl]-1-propan-2-ylpyridin-2-one;molecular hydrogen
• PubChem CID: 158434733
• Molecular Formula: C27H35N5O2
• Molecular Weight: 461.61 g/mol
• Exact Mass: 461.28
• IUPAC Name: 5-[6-[3-[3-[(tert-butylamino)methyl]phenyl]-1,2-oxazol-5-yl]-5-methylpyrazin-2-yl]-1-propan-2-ylpyridin-2-one;molecular hydrogen
• SMILES: Cc1ncc(-c2ccc(=O)n(C(C)C)c2)nc1-c1cc(-c2cccc(CNC(C)(C)C)c2)no1.[H][H].[H][H]
• InChI: InChI=1S/C27H31N5O2.2H2/c1-17(2)32-16-21(10-11-25(32)33)23-15-28-18(3)26(30-23)24-13-22(31-34-24)20-9-7-8-19(12-20)14-29-27(4,5)6;;/h7-13,15-17,29H,14H2,1-6H3;2*1H
• InChIKey: HCBWWUOHWCMWRS-UHFFFAOYSA-N
• XLogP: 5.90
• TPSA: 85.84 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	461.61
LogP ≤ 5	5.90
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 5-[6-[3-[3-[(tert-butylamino)methyl]phenyl]-1,2-oxazol-5-yl]-5-methylpyrazin-2-yl]-1-propan-2-ylpyridin-2-one;molecular hydrogen?

The IUPAC name of 5-[6-[3-[3-[(tert-butylamino)methyl]phenyl]-1,2-oxazol-5-yl]-5-methylpyrazin-2-yl]-1-propan-2-ylpyridin-2-one;molecular hydrogen (CID 158434733) is 5-[6-[3-[3-[(tert-butylamino)methyl]phenyl]-1,2-oxazol-5-yl]-5-methylpyrazin-2-yl]-1-propan-2-ylpyridin-2-one;molecular hydrogen.

What is the SMILES notation for 5-[6-[3-[3-[(tert-butylamino)methyl]phenyl]-1,2-oxazol-5-yl]-5-methylpyrazin-2-yl]-1-propan-2-ylpyridin-2-one;molecular hydrogen?

The canonical SMILES for 5-[6-[3-[3-[(tert-butylamino)methyl]phenyl]-1,2-oxazol-5-yl]-5-methylpyrazin-2-yl]-1-propan-2-ylpyridin-2-one;molecular hydrogen is Cc1ncc(-c2ccc(=O)n(C(C)C)c2)nc1-c1cc(-c2cccc(CNC(C)(C)C)c2)no1.[H][H].[H][H].

What is the InChIKey of 5-[6-[3-[3-[(tert-butylamino)methyl]phenyl]-1,2-oxazol-5-yl]-5-methylpyrazin-2-yl]-1-propan-2-ylpyridin-2-one;molecular hydrogen?

The InChIKey is HCBWWUOHWCMWRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31N5O2.2H2/c1-17(2)32-16-21(10-11-25(32)33)23-15-28-18(3)26(30-23)24-13-22(31-34-24)20-9-7-8-19(12-20)14-29-27(4,5)6;;/h7-13,15-17,29H,14H2,1-6H3;2*1H.

What are the key properties of 5-[6-[3-[3-[(tert-butylamino)methyl]phenyl]-1,2-oxazol-5-yl]-5-methylpyrazin-2-yl]-1-propan-2-ylpyridin-2-one;molecular hydrogen?

5-[6-[3-[3-[(tert-butylamino)methyl]phenyl]-1,2-oxazol-5-yl]-5-methylpyrazin-2-yl]-1-propan-2-ylpyridin-2-one;molecular hydrogen has a molecular weight of 461.61 g/mol, XLogP of 5.90, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[6-[3-[3-[(tert-butylamino)methyl]phenyl]-1,2-oxazol-5-yl]-5-methylpyrazin-2-yl]-1-propan-2-ylpyridin-2-one;molecular hydrogen is sourced from PubChem (CID 158434733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).