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

C23H26N8O2 — CID 150648773

IUPAC4-tert-butyl-N-[[2-methyl-4-[4-[(1-methylpyrazol-4-yl)amino]-1,3,5-triazin-2-yl]phenyl]methyl]-1,3-oxazole-2-carboxamide
SMILESCc1cc(-c2ncnc(Nc3cnn(C)c3)n2)ccc1CNC(=O)c1nc(C(C)(C)C)co1
InChIInChI=1S/C23H26N8O2/c1-14-8-15(19-25-13-26-22(30-19)28-17-10-27-31(5)11-17)6-7-16(14)9-24-20(32)21-29-18(12-33-21)23(2,3)4/h6-8,10-13H,9H2,1-5H3,(H,24,32)(H,25,26,28,30)
InChIKeyJBKTUKQEAKNTOV-UHFFFAOYSA-N
MW446.52 g/mol
LogP3.54
Rot. Bonds6

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

4-tert-butyl-N-[[2-methyl-4-[4-[(1-methylpyrazol-4-yl)amino]-1,3,5-triazin-2-yl]phenyl]methyl]-1,3-oxazole-2-carboxamide (PubChem CID 150648773) has the molecular formula C23H26N8O2 and a molecular weight of 446.52 g/mol. Its IUPAC name is 4-tert-butyl-N-[[2-methyl-4-[4-[(1-methylpyrazol-4-yl)amino]-1,3,5-triazin-2-yl]phenyl]methyl]-1,3-oxazole-2-carboxamide.

Molecular Properties

Compound Name4-tert-butyl-N-[[2-methyl-4-[4-[(1-methylpyrazol-4-yl)amino]-1,3,5-triazin-2-yl]phenyl]methyl]-1,3-oxazole-2-carboxamide
PubChem CID150648773
Molecular FormulaC23H26N8O2
Molecular Weight446.52 g/mol
Exact Mass446.22
IUPAC Name4-tert-butyl-N-[[2-methyl-4-[4-[(1-methylpyrazol-4-yl)amino]-1,3,5-triazin-2-yl]phenyl]methyl]-1,3-oxazole-2-carboxamide
SMILESCc1cc(-c2ncnc(Nc3cnn(C)c3)n2)ccc1CNC(=O)c1nc(C(C)(C)C)co1
InChIInChI=1S/C23H26N8O2/c1-14-8-15(19-25-13-26-22(30-19)28-17-10-27-31(5)11-17)6-7-16(14)9-24-20(32)21-29-18(12-33-21)23(2,3)4/h6-8,10-13H,9H2,1-5H3,(H,24,32)(H,25,26,28,30)
InChIKeyJBKTUKQEAKNTOV-UHFFFAOYSA-N
XLogP3.54
TPSA123.65 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.52
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[[2-methyl-4-[4-[(1-methylpyrazol-4-yl)amino]-1,3,5-triazin-2-yl]phenyl]methyl]-1,3-oxazole-2-carboxamide?
The IUPAC name of 4-tert-butyl-N-[[2-methyl-4-[4-[(1-methylpyrazol-4-yl)amino]-1,3,5-triazin-2-yl]phenyl]methyl]-1,3-oxazole-2-carboxamide (CID 150648773) is 4-tert-butyl-N-[[2-methyl-4-[4-[(1-methylpyrazol-4-yl)amino]-1,3,5-triazin-2-yl]phenyl]methyl]-1,3-oxazole-2-carboxamide.
What is the SMILES notation for 4-tert-butyl-N-[[2-methyl-4-[4-[(1-methylpyrazol-4-yl)amino]-1,3,5-triazin-2-yl]phenyl]methyl]-1,3-oxazole-2-carboxamide?
The canonical SMILES for 4-tert-butyl-N-[[2-methyl-4-[4-[(1-methylpyrazol-4-yl)amino]-1,3,5-triazin-2-yl]phenyl]methyl]-1,3-oxazole-2-carboxamide is Cc1cc(-c2ncnc(Nc3cnn(C)c3)n2)ccc1CNC(=O)c1nc(C(C)(C)C)co1.
What is the InChIKey of 4-tert-butyl-N-[[2-methyl-4-[4-[(1-methylpyrazol-4-yl)amino]-1,3,5-triazin-2-yl]phenyl]methyl]-1,3-oxazole-2-carboxamide?
The InChIKey is JBKTUKQEAKNTOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N8O2/c1-14-8-15(19-25-13-26-22(30-19)28-17-10-27-31(5)11-17)6-7-16(14)9-24-20(32)21-29-18(12-33-21)23(2,3)4/h6-8,10-13H,9H2,1-5H3,(H,24,32)(H,25,26,28,30).
What are the key properties of 4-tert-butyl-N-[[2-methyl-4-[4-[(1-methylpyrazol-4-yl)amino]-1,3,5-triazin-2-yl]phenyl]methyl]-1,3-oxazole-2-carboxamide?
4-tert-butyl-N-[[2-methyl-4-[4-[(1-methylpyrazol-4-yl)amino]-1,3,5-triazin-2-yl]phenyl]methyl]-1,3-oxazole-2-carboxamide has a molecular weight of 446.52 g/mol, XLogP of 3.54, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-[[2-methyl-4-[4-[(1-methylpyrazol-4-yl)amino]-1,3,5-triazin-2-yl]phenyl]methyl]-1,3-oxazole-2-carboxamide is sourced from PubChem (CID 150648773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).