2-tert-butyl-N-[(5R)-2-[4-[(1-methylpyrazol-4-yl)amino]-1,3,5-triazin-2-yl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]-1,3-oxazole-5-carboxamide

C26H30N8O2 — CID 151218931

IUPAC2-tert-butyl-N-[(5R)-2-[4-[(1-methylpyrazol-4-yl)amino]-1,3,5-triazin-2-yl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]-1,3-oxazole-5-carboxamide
SMILESCn1cc(Nc2ncnc(-c3ccc4c(c3)CCCC[C@H]4NC(=O)c3cnc(C(C)(C)C)o3)n2)cn1
InChIInChI=1S/C26H30N8O2/c1-26(2,3)24-27-13-21(36-24)23(35)32-20-8-6-5-7-16-11-17(9-10-19(16)20)22-28-15-29-25(33-22)31-18-12-30-34(4)14-18/h9-15,20H,5-8H2,1-4H3,(H,32,35)(H,28,29,31,33)/t20-/m1/s1
InChIKeyNLVYWUZUDKHETC-HXUWFJFHSA-N
MW486.58 g/mol
LogP4.50
Rot. Bonds5

About 2-tert-butyl-N-[(5R)-2-[4-[(1-methylpyrazol-4-yl)amino]-1,3,5-triazin-2-yl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]-1,3-oxazole-5-carboxamide

2-tert-butyl-N-[(5R)-2-[4-[(1-methylpyrazol-4-yl)amino]-1,3,5-triazin-2-yl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]-1,3-oxazole-5-carboxamide (PubChem CID 151218931) has the molecular formula C26H30N8O2 and a molecular weight of 486.58 g/mol. Its IUPAC name is 2-tert-butyl-N-[(5R)-2-[4-[(1-methylpyrazol-4-yl)amino]-1,3,5-triazin-2-yl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]-1,3-oxazole-5-carboxamide.

Molecular Properties

Compound Name2-tert-butyl-N-[(5R)-2-[4-[(1-methylpyrazol-4-yl)amino]-1,3,5-triazin-2-yl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]-1,3-oxazole-5-carboxamide
PubChem CID151218931
Molecular FormulaC26H30N8O2
Molecular Weight486.58 g/mol
Exact Mass486.25
IUPAC Name2-tert-butyl-N-[(5R)-2-[4-[(1-methylpyrazol-4-yl)amino]-1,3,5-triazin-2-yl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]-1,3-oxazole-5-carboxamide
SMILESCn1cc(Nc2ncnc(-c3ccc4c(c3)CCCC[C@H]4NC(=O)c3cnc(C(C)(C)C)o3)n2)cn1
InChIInChI=1S/C26H30N8O2/c1-26(2,3)24-27-13-21(36-24)23(35)32-20-8-6-5-7-16-11-17(9-10-19(16)20)22-28-15-29-25(33-22)31-18-12-30-34(4)14-18/h9-15,20H,5-8H2,1-4H3,(H,32,35)(H,28,29,31,33)/t20-/m1/s1
InChIKeyNLVYWUZUDKHETC-HXUWFJFHSA-N
XLogP4.50
TPSA123.65 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.58
LogP ≤ 54.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 2-tert-butyl-N-[(5R)-2-[4-[(1-methylpyrazol-4-yl)amino]-1,3,5-triazin-2-yl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]-1,3-oxazole-5-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-N-[(5R)-2-[4-[(1-methylpyrazol-4-yl)amino]-1,3,5-triazin-2-yl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]-1,3-oxazole-5-carboxamide?
The IUPAC name of 2-tert-butyl-N-[(5R)-2-[4-[(1-methylpyrazol-4-yl)amino]-1,3,5-triazin-2-yl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]-1,3-oxazole-5-carboxamide (CID 151218931) is 2-tert-butyl-N-[(5R)-2-[4-[(1-methylpyrazol-4-yl)amino]-1,3,5-triazin-2-yl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]-1,3-oxazole-5-carboxamide.
What is the SMILES notation for 2-tert-butyl-N-[(5R)-2-[4-[(1-methylpyrazol-4-yl)amino]-1,3,5-triazin-2-yl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]-1,3-oxazole-5-carboxamide?
The canonical SMILES for 2-tert-butyl-N-[(5R)-2-[4-[(1-methylpyrazol-4-yl)amino]-1,3,5-triazin-2-yl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]-1,3-oxazole-5-carboxamide is Cn1cc(Nc2ncnc(-c3ccc4c(c3)CCCC[C@H]4NC(=O)c3cnc(C(C)(C)C)o3)n2)cn1.
What is the InChIKey of 2-tert-butyl-N-[(5R)-2-[4-[(1-methylpyrazol-4-yl)amino]-1,3,5-triazin-2-yl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]-1,3-oxazole-5-carboxamide?
The InChIKey is NLVYWUZUDKHETC-HXUWFJFHSA-N. The full InChI is InChI=1S/C26H30N8O2/c1-26(2,3)24-27-13-21(36-24)23(35)32-20-8-6-5-7-16-11-17(9-10-19(16)20)22-28-15-29-25(33-22)31-18-12-30-34(4)14-18/h9-15,20H,5-8H2,1-4H3,(H,32,35)(H,28,29,31,33)/t20-/m1/s1.
What are the key properties of 2-tert-butyl-N-[(5R)-2-[4-[(1-methylpyrazol-4-yl)amino]-1,3,5-triazin-2-yl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]-1,3-oxazole-5-carboxamide?
2-tert-butyl-N-[(5R)-2-[4-[(1-methylpyrazol-4-yl)amino]-1,3,5-triazin-2-yl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]-1,3-oxazole-5-carboxamide has a molecular weight of 486.58 g/mol, XLogP of 4.50, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-N-[(5R)-2-[4-[(1-methylpyrazol-4-yl)amino]-1,3,5-triazin-2-yl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 151218931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).