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

C20H15N5O2 — CID 67029058

IUPAC4-[6-(1H-indol-4-yl)-1H-indazol-4-yl]-5-methyl-1,2-oxazole-3-carboxamide
SMILESCc1onc(C(N)=O)c1-c1cc(-c2cccc3[nH]ccc23)cc2[nH]ncc12
InChIInChI=1S/C20H15N5O2/c1-10-18(19(20(21)26)25-27-10)14-7-11(8-17-15(14)9-23-24-17)12-3-2-4-16-13(12)5-6-22-16/h2-9,22H,1H3,(H2,21,26)(H,23,24)
InChIKeyGAAMIGWKBHVYAM-UHFFFAOYSA-N
MW357.37 g/mol
LogP3.77
Rot. Bonds3

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

4-[6-(1H-indol-4-yl)-1H-indazol-4-yl]-5-methyl-1,2-oxazole-3-carboxamide (PubChem CID 67029058) has the molecular formula C20H15N5O2 and a molecular weight of 357.37 g/mol. Its IUPAC name is 4-[6-(1H-indol-4-yl)-1H-indazol-4-yl]-5-methyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name4-[6-(1H-indol-4-yl)-1H-indazol-4-yl]-5-methyl-1,2-oxazole-3-carboxamide
PubChem CID67029058
Molecular FormulaC20H15N5O2
Molecular Weight357.37 g/mol
Exact Mass357.12
IUPAC Name4-[6-(1H-indol-4-yl)-1H-indazol-4-yl]-5-methyl-1,2-oxazole-3-carboxamide
SMILESCc1onc(C(N)=O)c1-c1cc(-c2cccc3[nH]ccc23)cc2[nH]ncc12
InChIInChI=1S/C20H15N5O2/c1-10-18(19(20(21)26)25-27-10)14-7-11(8-17-15(14)9-23-24-17)12-3-2-4-16-13(12)5-6-22-16/h2-9,22H,1H3,(H2,21,26)(H,23,24)
InChIKeyGAAMIGWKBHVYAM-UHFFFAOYSA-N
XLogP3.77
TPSA113.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.37
LogP ≤ 53.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[6-(1H-indol-4-yl)-1H-indazol-4-yl]-5-methyl-1,2-oxazole-3-carboxamide?
The IUPAC name of 4-[6-(1H-indol-4-yl)-1H-indazol-4-yl]-5-methyl-1,2-oxazole-3-carboxamide (CID 67029058) is 4-[6-(1H-indol-4-yl)-1H-indazol-4-yl]-5-methyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 4-[6-(1H-indol-4-yl)-1H-indazol-4-yl]-5-methyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for 4-[6-(1H-indol-4-yl)-1H-indazol-4-yl]-5-methyl-1,2-oxazole-3-carboxamide is Cc1onc(C(N)=O)c1-c1cc(-c2cccc3[nH]ccc23)cc2[nH]ncc12.
What is the InChIKey of 4-[6-(1H-indol-4-yl)-1H-indazol-4-yl]-5-methyl-1,2-oxazole-3-carboxamide?
The InChIKey is GAAMIGWKBHVYAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N5O2/c1-10-18(19(20(21)26)25-27-10)14-7-11(8-17-15(14)9-23-24-17)12-3-2-4-16-13(12)5-6-22-16/h2-9,22H,1H3,(H2,21,26)(H,23,24).
What are the key properties of 4-[6-(1H-indol-4-yl)-1H-indazol-4-yl]-5-methyl-1,2-oxazole-3-carboxamide?
4-[6-(1H-indol-4-yl)-1H-indazol-4-yl]-5-methyl-1,2-oxazole-3-carboxamide has a molecular weight of 357.37 g/mol, XLogP of 3.77, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(1H-indol-4-yl)-1H-indazol-4-yl]-5-methyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 67029058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).