1-(2-tert-butyl-1,3-oxazol-5-yl)-3-[2-methyl-4-[4-[(1-methylpyrazol-3-yl)amino]-1,3,5-triazin-2-yl]phenyl]propan-1-one

C24H27N7O2 — CID 157069908

IUPAC1-(2-tert-butyl-1,3-oxazol-5-yl)-3-[2-methyl-4-[4-[(1-methylpyrazol-3-yl)amino]-1,3,5-triazin-2-yl]phenyl]propan-1-one
SMILESCc1cc(-c2ncnc(Nc3ccn(C)n3)n2)ccc1CCC(=O)c1cnc(C(C)(C)C)o1
InChIInChI=1S/C24H27N7O2/c1-15-12-17(21-26-14-27-23(29-21)28-20-10-11-31(5)30-20)7-6-16(15)8-9-18(32)19-13-25-22(33-19)24(2,3)4/h6-7,10-14H,8-9H2,1-5H3,(H,26,27,28,29,30)
InChIKeyAJYOHEJAQMSBSE-UHFFFAOYSA-N
MW445.53 g/mol
LogP4.43
Rot. Bonds7

About 1-(2-tert-butyl-1,3-oxazol-5-yl)-3-[2-methyl-4-[4-[(1-methylpyrazol-3-yl)amino]-1,3,5-triazin-2-yl]phenyl]propan-1-one

1-(2-tert-butyl-1,3-oxazol-5-yl)-3-[2-methyl-4-[4-[(1-methylpyrazol-3-yl)amino]-1,3,5-triazin-2-yl]phenyl]propan-1-one (PubChem CID 157069908) has the molecular formula C24H27N7O2 and a molecular weight of 445.53 g/mol. Its IUPAC name is 1-(2-tert-butyl-1,3-oxazol-5-yl)-3-[2-methyl-4-[4-[(1-methylpyrazol-3-yl)amino]-1,3,5-triazin-2-yl]phenyl]propan-1-one.

Molecular Properties

Compound Name1-(2-tert-butyl-1,3-oxazol-5-yl)-3-[2-methyl-4-[4-[(1-methylpyrazol-3-yl)amino]-1,3,5-triazin-2-yl]phenyl]propan-1-one
PubChem CID157069908
Molecular FormulaC24H27N7O2
Molecular Weight445.53 g/mol
Exact Mass445.22
IUPAC Name1-(2-tert-butyl-1,3-oxazol-5-yl)-3-[2-methyl-4-[4-[(1-methylpyrazol-3-yl)amino]-1,3,5-triazin-2-yl]phenyl]propan-1-one
SMILESCc1cc(-c2ncnc(Nc3ccn(C)n3)n2)ccc1CCC(=O)c1cnc(C(C)(C)C)o1
InChIInChI=1S/C24H27N7O2/c1-15-12-17(21-26-14-27-23(29-21)28-20-10-11-31(5)30-20)7-6-16(15)8-9-18(32)19-13-25-22(33-19)24(2,3)4/h6-7,10-14H,8-9H2,1-5H3,(H,26,27,28,29,30)
InChIKeyAJYOHEJAQMSBSE-UHFFFAOYSA-N
XLogP4.43
TPSA111.62 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.53
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 1-(2-tert-butyl-1,3-oxazol-5-yl)-3-[2-methyl-4-[4-[(1-methylpyrazol-3-yl)amino]-1,3,5-triazin-2-yl]phenyl]propan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

US10899753, Example 31
CID 148386063
US10899753, Example 99
CID 150035845
US10899753, Example 35
CID 151218931
2-(1-methylpiperidin-4-yl)-N-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1,3-oxazole-5-carboxamide
CID 146617128
US10899753, Example 3
CID 150636978
N-[4-fluoro-3-(6-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)phenyl]-2-methyl-1,3-oxazole-5-carboxamide
CID 118162622
1-(4-tert-butyl-1,3-oxazol-2-yl)-2-[(5S)-8-[4-[(1-methylpyrazol-3-yl)amino]-1,3,5-triazin-2-yl]-2-(2,2,2-trifluoroethyl)-1,3,4,5-tetrahydro-2-benzazepin-5-yl]ethanone
CID 159375035
6-[2-fluoro-3-(2-methyl-1,3-oxazol-5-yl)phenyl]-N-methyl-1-[(1-methylpyrazol-3-yl)amino]-7H-cyclopenta[c]pyridine-4-carboxamide
CID 161178508
1-(2-Tert-butyl-1,3-oxazol-4-yl)-3-[3-fluoro-2-methyl-4-[4-[(1-methylpyrazol-3-yl)amino]-1,3,5-triazin-2-yl]phenyl]propan-1-one
CID 161461431
1-(2-tert-butyl-1,3-oxazol-4-yl)-2-[(5S)-1-fluoro-2-[4-[(1-methylpyrazol-3-yl)amino]-1,3,5-triazin-2-yl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]ethanone
CID 161787947
1-(5-Tert-butyl-1,3-oxazol-2-yl)-3-[3-fluoro-2-methyl-4-[4-[(1-methylpyrazol-4-yl)amino]-1,3,5-triazin-2-yl]phenyl]propan-1-one
CID 157593299
2-(4-methylpiperazin-1-yl)-N-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1,3-oxazole-5-carboxamide
CID 138585715

Frequently Asked Questions

What is the IUPAC name of 1-(2-tert-butyl-1,3-oxazol-5-yl)-3-[2-methyl-4-[4-[(1-methylpyrazol-3-yl)amino]-1,3,5-triazin-2-yl]phenyl]propan-1-one?
The IUPAC name of 1-(2-tert-butyl-1,3-oxazol-5-yl)-3-[2-methyl-4-[4-[(1-methylpyrazol-3-yl)amino]-1,3,5-triazin-2-yl]phenyl]propan-1-one (CID 157069908) is 1-(2-tert-butyl-1,3-oxazol-5-yl)-3-[2-methyl-4-[4-[(1-methylpyrazol-3-yl)amino]-1,3,5-triazin-2-yl]phenyl]propan-1-one.
What is the SMILES notation for 1-(2-tert-butyl-1,3-oxazol-5-yl)-3-[2-methyl-4-[4-[(1-methylpyrazol-3-yl)amino]-1,3,5-triazin-2-yl]phenyl]propan-1-one?
The canonical SMILES for 1-(2-tert-butyl-1,3-oxazol-5-yl)-3-[2-methyl-4-[4-[(1-methylpyrazol-3-yl)amino]-1,3,5-triazin-2-yl]phenyl]propan-1-one is Cc1cc(-c2ncnc(Nc3ccn(C)n3)n2)ccc1CCC(=O)c1cnc(C(C)(C)C)o1.
What is the InChIKey of 1-(2-tert-butyl-1,3-oxazol-5-yl)-3-[2-methyl-4-[4-[(1-methylpyrazol-3-yl)amino]-1,3,5-triazin-2-yl]phenyl]propan-1-one?
The InChIKey is AJYOHEJAQMSBSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N7O2/c1-15-12-17(21-26-14-27-23(29-21)28-20-10-11-31(5)30-20)7-6-16(15)8-9-18(32)19-13-25-22(33-19)24(2,3)4/h6-7,10-14H,8-9H2,1-5H3,(H,26,27,28,29,30).
What are the key properties of 1-(2-tert-butyl-1,3-oxazol-5-yl)-3-[2-methyl-4-[4-[(1-methylpyrazol-3-yl)amino]-1,3,5-triazin-2-yl]phenyl]propan-1-one?
1-(2-tert-butyl-1,3-oxazol-5-yl)-3-[2-methyl-4-[4-[(1-methylpyrazol-3-yl)amino]-1,3,5-triazin-2-yl]phenyl]propan-1-one has a molecular weight of 445.53 g/mol, XLogP of 4.43, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-tert-butyl-1,3-oxazol-5-yl)-3-[2-methyl-4-[4-[(1-methylpyrazol-3-yl)amino]-1,3,5-triazin-2-yl]phenyl]propan-1-one is sourced from PubChem (CID 157069908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).