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

C23H26ClN9O2 — CID 147176384

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

5-tert-butyl-N-[(1R)-1-[2-chloro-3-methyl-4-[4-[(1-methylpyrazol-3-yl)amino]-1,3,5-triazin-2-yl]phenyl]ethyl]-1,2,4-oxadiazole-3-carboxamide (PubChem CID 147176384) has the molecular formula C23H26ClN9O2 and a molecular weight of 495.98 g/mol. Its IUPAC name is 5-tert-butyl-N-[(1R)-1-[2-chloro-3-methyl-4-[4-[(1-methylpyrazol-3-yl)amino]-1,3,5-triazin-2-yl]phenyl]ethyl]-1,2,4-oxadiazole-3-carboxamide.

Molecular Properties

• Compound Name: 5-tert-butyl-N-[(1R)-1-[2-chloro-3-methyl-4-[4-[(1-methylpyrazol-3-yl)amino]-1,3,5-triazin-2-yl]phenyl]ethyl]-1,2,4-oxadiazole-3-carboxamide
• PubChem CID: 147176384
• Molecular Formula: C23H26ClN9O2
• Molecular Weight: 495.98 g/mol
• Exact Mass: 495.19
• IUPAC Name: 5-tert-butyl-N-[(1R)-1-[2-chloro-3-methyl-4-[4-[(1-methylpyrazol-3-yl)amino]-1,3,5-triazin-2-yl]phenyl]ethyl]-1,2,4-oxadiazole-3-carboxamide
• SMILES: Cc1c(-c2ncnc(Nc3ccn(C)n3)n2)ccc([C@@H](C)NC(=O)c2noc(C(C)(C)C)n2)c1Cl
• InChI: InChI=1S/C23H26ClN9O2/c1-12-14(18-25-11-26-22(30-18)28-16-9-10-33(6)31-16)7-8-15(17(12)24)13(2)27-20(34)19-29-21(35-32-19)23(3,4)5/h7-11,13H,1-6H3,(H,27,34)(H,25,26,28,30,31)/t13-/m1/s1
• InChIKey: BYSOLGDUCRNAER-CYBMUJFWSA-N
• XLogP: 4.15
• TPSA: 136.54 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	495.98
LogP ≤ 5	4.15
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

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

The IUPAC name of 5-tert-butyl-N-[(1R)-1-[2-chloro-3-methyl-4-[4-[(1-methylpyrazol-3-yl)amino]-1,3,5-triazin-2-yl]phenyl]ethyl]-1,2,4-oxadiazole-3-carboxamide (CID 147176384) is 5-tert-butyl-N-[(1R)-1-[2-chloro-3-methyl-4-[4-[(1-methylpyrazol-3-yl)amino]-1,3,5-triazin-2-yl]phenyl]ethyl]-1,2,4-oxadiazole-3-carboxamide.

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

The canonical SMILES for 5-tert-butyl-N-[(1R)-1-[2-chloro-3-methyl-4-[4-[(1-methylpyrazol-3-yl)amino]-1,3,5-triazin-2-yl]phenyl]ethyl]-1,2,4-oxadiazole-3-carboxamide is Cc1c(-c2ncnc(Nc3ccn(C)n3)n2)ccc([C@@H](C)NC(=O)c2noc(C(C)(C)C)n2)c1Cl.

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

The InChIKey is BYSOLGDUCRNAER-CYBMUJFWSA-N. The full InChI is InChI=1S/C23H26ClN9O2/c1-12-14(18-25-11-26-22(30-18)28-16-9-10-33(6)31-16)7-8-15(17(12)24)13(2)27-20(34)19-29-21(35-32-19)23(3,4)5/h7-11,13H,1-6H3,(H,27,34)(H,25,26,28,30,31)/t13-/m1/s1.

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

5-tert-butyl-N-[(1R)-1-[2-chloro-3-methyl-4-[4-[(1-methylpyrazol-3-yl)amino]-1,3,5-triazin-2-yl]phenyl]ethyl]-1,2,4-oxadiazole-3-carboxamide has a molecular weight of 495.98 g/mol, XLogP of 4.15, 6 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 5-tert-butyl-N-[(1R)-1-[2-chloro-3-methyl-4-[4-[(1-methylpyrazol-3-yl)amino]-1,3,5-triazin-2-yl]phenyl]ethyl]-1,2,4-oxadiazole-3-carboxamide is sourced from PubChem (CID 147176384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).