5-tert-butyl-N-[(1R)-1-[3-fluoro-2-methyl-4-[4-[(1-methylpyrazol-4-yl)amino]-1,3,5-triazin-2-yl]phenyl]ethyl]-1,2-oxazole-3-carboxamide

C24H27FN8O2 — CID 151954233

About 5-tert-butyl-N-[(1R)-1-[3-fluoro-2-methyl-4-[4-[(1-methylpyrazol-4-yl)amino]-1,3,5-triazin-2-yl]phenyl]ethyl]-1,2-oxazole-3-carboxamide

5-tert-butyl-N-[(1R)-1-[3-fluoro-2-methyl-4-[4-[(1-methylpyrazol-4-yl)amino]-1,3,5-triazin-2-yl]phenyl]ethyl]-1,2-oxazole-3-carboxamide (PubChem CID 151954233) has the molecular formula C24H27FN8O2 and a molecular weight of 478.53 g/mol. Its IUPAC name is 5-tert-butyl-N-[(1R)-1-[3-fluoro-2-methyl-4-[4-[(1-methylpyrazol-4-yl)amino]-1,3,5-triazin-2-yl]phenyl]ethyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

• Compound Name: 5-tert-butyl-N-[(1R)-1-[3-fluoro-2-methyl-4-[4-[(1-methylpyrazol-4-yl)amino]-1,3,5-triazin-2-yl]phenyl]ethyl]-1,2-oxazole-3-carboxamide
• PubChem CID: 151954233
• Molecular Formula: C24H27FN8O2
• Molecular Weight: 478.53 g/mol
• Exact Mass: 478.22
• IUPAC Name: 5-tert-butyl-N-[(1R)-1-[3-fluoro-2-methyl-4-[4-[(1-methylpyrazol-4-yl)amino]-1,3,5-triazin-2-yl]phenyl]ethyl]-1,2-oxazole-3-carboxamide
• SMILES: Cc1c([C@@H](C)NC(=O)c2cc(C(C)(C)C)on2)ccc(-c2ncnc(Nc3cnn(C)c3)n2)c1F
• InChI: InChI=1S/C24H27FN8O2/c1-13-16(14(2)29-22(34)18-9-19(35-32-18)24(3,4)5)7-8-17(20(13)25)21-26-12-27-23(31-21)30-15-10-28-33(6)11-15/h7-12,14H,1-6H3,(H,29,34)(H,26,27,30,31)/t14-/m1/s1
• InChIKey: TXHMCINUNWSNQH-CQSZACIVSA-N
• XLogP: 4.24
• TPSA: 123.65 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	478.53
LogP ≤ 5	4.24
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-N-[(1R)-1-[3-fluoro-2-methyl-4-[4-[(1-methylpyrazol-4-yl)amino]-1,3,5-triazin-2-yl]phenyl]ethyl]-1,2-oxazole-3-carboxamide?

The IUPAC name of 5-tert-butyl-N-[(1R)-1-[3-fluoro-2-methyl-4-[4-[(1-methylpyrazol-4-yl)amino]-1,3,5-triazin-2-yl]phenyl]ethyl]-1,2-oxazole-3-carboxamide (CID 151954233) is 5-tert-butyl-N-[(1R)-1-[3-fluoro-2-methyl-4-[4-[(1-methylpyrazol-4-yl)amino]-1,3,5-triazin-2-yl]phenyl]ethyl]-1,2-oxazole-3-carboxamide.

What is the SMILES notation for 5-tert-butyl-N-[(1R)-1-[3-fluoro-2-methyl-4-[4-[(1-methylpyrazol-4-yl)amino]-1,3,5-triazin-2-yl]phenyl]ethyl]-1,2-oxazole-3-carboxamide?

The canonical SMILES for 5-tert-butyl-N-[(1R)-1-[3-fluoro-2-methyl-4-[4-[(1-methylpyrazol-4-yl)amino]-1,3,5-triazin-2-yl]phenyl]ethyl]-1,2-oxazole-3-carboxamide is Cc1c([C@@H](C)NC(=O)c2cc(C(C)(C)C)on2)ccc(-c2ncnc(Nc3cnn(C)c3)n2)c1F.

What is the InChIKey of 5-tert-butyl-N-[(1R)-1-[3-fluoro-2-methyl-4-[4-[(1-methylpyrazol-4-yl)amino]-1,3,5-triazin-2-yl]phenyl]ethyl]-1,2-oxazole-3-carboxamide?

The InChIKey is TXHMCINUNWSNQH-CQSZACIVSA-N. The full InChI is InChI=1S/C24H27FN8O2/c1-13-16(14(2)29-22(34)18-9-19(35-32-18)24(3,4)5)7-8-17(20(13)25)21-26-12-27-23(31-21)30-15-10-28-33(6)11-15/h7-12,14H,1-6H3,(H,29,34)(H,26,27,30,31)/t14-/m1/s1.

What are the key properties of 5-tert-butyl-N-[(1R)-1-[3-fluoro-2-methyl-4-[4-[(1-methylpyrazol-4-yl)amino]-1,3,5-triazin-2-yl]phenyl]ethyl]-1,2-oxazole-3-carboxamide?

5-tert-butyl-N-[(1R)-1-[3-fluoro-2-methyl-4-[4-[(1-methylpyrazol-4-yl)amino]-1,3,5-triazin-2-yl]phenyl]ethyl]-1,2-oxazole-3-carboxamide has a molecular weight of 478.53 g/mol, XLogP of 4.24, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 5-tert-butyl-N-[(1R)-1-[3-fluoro-2-methyl-4-[4-[(1-methylpyrazol-4-yl)amino]-1,3,5-triazin-2-yl]phenyl]ethyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 151954233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).