N-[6-(1H-indol-4-yl)-1H-indazol-4-yl]-5-propan-2-yl-1,3-oxazole-4-carboxamide

C22H19N5O2 — CID 44539956

About N-[6-(1H-indol-4-yl)-1H-indazol-4-yl]-5-propan-2-yl-1,3-oxazole-4-carboxamide

N-[6-(1H-indol-4-yl)-1H-indazol-4-yl]-5-propan-2-yl-1,3-oxazole-4-carboxamide (PubChem CID 44539956) has the molecular formula C22H19N5O2 and a molecular weight of 385.43 g/mol. Its IUPAC name is N-[6-(1H-indol-4-yl)-1H-indazol-4-yl]-5-propan-2-yl-1,3-oxazole-4-carboxamide.

Molecular Properties

• Compound Name: N-[6-(1H-indol-4-yl)-1H-indazol-4-yl]-5-propan-2-yl-1,3-oxazole-4-carboxamide
• PubChem CID: 44539956
• Molecular Formula: C22H19N5O2
• Molecular Weight: 385.43 g/mol
• Exact Mass: 385.15
• IUPAC Name: N-[6-(1H-indol-4-yl)-1H-indazol-4-yl]-5-propan-2-yl-1,3-oxazole-4-carboxamide
• SMILES: CC(C)c1ocnc1C(=O)Nc1cc(-c2cccc3[nH]ccc23)cc2[nH]ncc12
• InChI: InChI=1S/C22H19N5O2/c1-12(2)21-20(24-11-29-21)22(28)26-18-8-13(9-19-16(18)10-25-27-19)14-4-3-5-17-15(14)6-7-23-17/h3-12,23H,1-2H3,(H,25,27)(H,26,28)
• InChIKey: HJDUWZFVHLBUPM-UHFFFAOYSA-N
• XLogP: 5.07
• TPSA: 99.60 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	385.43
LogP ≤ 5	5.07
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[6-(1H-indol-4-yl)-1H-indazol-4-yl]-5-propan-2-yl-1,3-oxazole-4-carboxamide?

The IUPAC name of N-[6-(1H-indol-4-yl)-1H-indazol-4-yl]-5-propan-2-yl-1,3-oxazole-4-carboxamide (CID 44539956) is N-[6-(1H-indol-4-yl)-1H-indazol-4-yl]-5-propan-2-yl-1,3-oxazole-4-carboxamide.

What is the SMILES notation for N-[6-(1H-indol-4-yl)-1H-indazol-4-yl]-5-propan-2-yl-1,3-oxazole-4-carboxamide?

The canonical SMILES for N-[6-(1H-indol-4-yl)-1H-indazol-4-yl]-5-propan-2-yl-1,3-oxazole-4-carboxamide is CC(C)c1ocnc1C(=O)Nc1cc(-c2cccc3[nH]ccc23)cc2[nH]ncc12.

What is the InChIKey of N-[6-(1H-indol-4-yl)-1H-indazol-4-yl]-5-propan-2-yl-1,3-oxazole-4-carboxamide?

The InChIKey is HJDUWZFVHLBUPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N5O2/c1-12(2)21-20(24-11-29-21)22(28)26-18-8-13(9-19-16(18)10-25-27-19)14-4-3-5-17-15(14)6-7-23-17/h3-12,23H,1-2H3,(H,25,27)(H,26,28).

What are the key properties of N-[6-(1H-indol-4-yl)-1H-indazol-4-yl]-5-propan-2-yl-1,3-oxazole-4-carboxamide?

N-[6-(1H-indol-4-yl)-1H-indazol-4-yl]-5-propan-2-yl-1,3-oxazole-4-carboxamide has a molecular weight of 385.43 g/mol, XLogP of 5.07, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[6-(1H-indol-4-yl)-1H-indazol-4-yl]-5-propan-2-yl-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 44539956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).