N-[5-(2,4-dihydroxy-5-propan-2-ylphenyl)-4-(1-methylindol-5-yl)-1,2,4-triazol-3-yl]-5-methyl-1,2-oxazole-3-carboxamide

C25H24N6O4 — CID 135971809

About N-[5-(2,4-dihydroxy-5-propan-2-ylphenyl)-4-(1-methylindol-5-yl)-1,2,4-triazol-3-yl]-5-methyl-1,2-oxazole-3-carboxamide

N-[5-(2,4-dihydroxy-5-propan-2-ylphenyl)-4-(1-methylindol-5-yl)-1,2,4-triazol-3-yl]-5-methyl-1,2-oxazole-3-carboxamide (PubChem CID 135971809) has the molecular formula C25H24N6O4 and a molecular weight of 472.51 g/mol. Its IUPAC name is N-[5-(2,4-dihydroxy-5-propan-2-ylphenyl)-4-(1-methylindol-5-yl)-1,2,4-triazol-3-yl]-5-methyl-1,2-oxazole-3-carboxamide.

Molecular Properties

• Compound Name: N-[5-(2,4-dihydroxy-5-propan-2-ylphenyl)-4-(1-methylindol-5-yl)-1,2,4-triazol-3-yl]-5-methyl-1,2-oxazole-3-carboxamide
• PubChem CID: 135971809
• Molecular Formula: C25H24N6O4
• Molecular Weight: 472.51 g/mol
• Exact Mass: 472.19
• IUPAC Name: N-[5-(2,4-dihydroxy-5-propan-2-ylphenyl)-4-(1-methylindol-5-yl)-1,2,4-triazol-3-yl]-5-methyl-1,2-oxazole-3-carboxamide
• SMILES: Cc1cc(C(=O)Nc2nnc(-c3cc(C(C)C)c(O)cc3O)n2-c2ccc3c(ccn3C)c2)no1
• InChI: InChI=1S/C25H24N6O4/c1-13(2)17-11-18(22(33)12-21(17)32)23-27-28-25(26-24(34)19-9-14(3)35-29-19)31(23)16-5-6-20-15(10-16)7-8-30(20)4/h5-13,32-33H,1-4H3,(H,26,28,34)
• InChIKey: JUUHKWUKGLKMCZ-UHFFFAOYSA-N
• XLogP: 4.51
• TPSA: 131.23 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 5
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	472.51
LogP ≤ 5	4.51
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of N-[5-(2,4-dihydroxy-5-propan-2-ylphenyl)-4-(1-methylindol-5-yl)-1,2,4-triazol-3-yl]-5-methyl-1,2-oxazole-3-carboxamide?

The IUPAC name of N-[5-(2,4-dihydroxy-5-propan-2-ylphenyl)-4-(1-methylindol-5-yl)-1,2,4-triazol-3-yl]-5-methyl-1,2-oxazole-3-carboxamide (CID 135971809) is N-[5-(2,4-dihydroxy-5-propan-2-ylphenyl)-4-(1-methylindol-5-yl)-1,2,4-triazol-3-yl]-5-methyl-1,2-oxazole-3-carboxamide.

What is the SMILES notation for N-[5-(2,4-dihydroxy-5-propan-2-ylphenyl)-4-(1-methylindol-5-yl)-1,2,4-triazol-3-yl]-5-methyl-1,2-oxazole-3-carboxamide?

The canonical SMILES for N-[5-(2,4-dihydroxy-5-propan-2-ylphenyl)-4-(1-methylindol-5-yl)-1,2,4-triazol-3-yl]-5-methyl-1,2-oxazole-3-carboxamide is Cc1cc(C(=O)Nc2nnc(-c3cc(C(C)C)c(O)cc3O)n2-c2ccc3c(ccn3C)c2)no1.

What is the InChIKey of N-[5-(2,4-dihydroxy-5-propan-2-ylphenyl)-4-(1-methylindol-5-yl)-1,2,4-triazol-3-yl]-5-methyl-1,2-oxazole-3-carboxamide?

The InChIKey is JUUHKWUKGLKMCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N6O4/c1-13(2)17-11-18(22(33)12-21(17)32)23-27-28-25(26-24(34)19-9-14(3)35-29-19)31(23)16-5-6-20-15(10-16)7-8-30(20)4/h5-13,32-33H,1-4H3,(H,26,28,34).

What are the key properties of N-[5-(2,4-dihydroxy-5-propan-2-ylphenyl)-4-(1-methylindol-5-yl)-1,2,4-triazol-3-yl]-5-methyl-1,2-oxazole-3-carboxamide?

N-[5-(2,4-dihydroxy-5-propan-2-ylphenyl)-4-(1-methylindol-5-yl)-1,2,4-triazol-3-yl]-5-methyl-1,2-oxazole-3-carboxamide has a molecular weight of 472.51 g/mol, XLogP of 4.51, 5 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-(2,4-dihydroxy-5-propan-2-ylphenyl)-4-(1-methylindol-5-yl)-1,2,4-triazol-3-yl]-5-methyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 135971809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).