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

C22H19N5O2 — CID 44539956

IUPACN-[6-(1H-indol-4-yl)-1H-indazol-4-yl]-5-propan-2-yl-1,3-oxazole-4-carboxamide
SMILESCC(C)c1ocnc1C(=O)Nc1cc(-c2cccc3[nH]ccc23)cc2[nH]ncc12
InChIInChI=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)
InChIKeyHJDUWZFVHLBUPM-UHFFFAOYSA-N
MW385.43 g/mol
LogP5.07
Rot. Bonds4

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 NameN-[6-(1H-indol-4-yl)-1H-indazol-4-yl]-5-propan-2-yl-1,3-oxazole-4-carboxamide
PubChem CID44539956
Molecular FormulaC22H19N5O2
Molecular Weight385.43 g/mol
Exact Mass385.15
IUPAC NameN-[6-(1H-indol-4-yl)-1H-indazol-4-yl]-5-propan-2-yl-1,3-oxazole-4-carboxamide
SMILESCC(C)c1ocnc1C(=O)Nc1cc(-c2cccc3[nH]ccc23)cc2[nH]ncc12
InChIInChI=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)
InChIKeyHJDUWZFVHLBUPM-UHFFFAOYSA-N
XLogP5.07
TPSA99.60 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.43
LogP ≤ 55.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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