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

C18H12N4O — CID 122212728

IUPAC2-[6-(1H-indol-4-yl)-1H-indazol-4-yl]-1,3-oxazole
SMILESc1cc(-c2cc(-c3ncco3)c3cn[nH]c3c2)c2cc[nH]c2c1
InChIInChI=1S/C18H12N4O/c1-2-12(13-4-5-19-16(13)3-1)11-8-14(18-20-6-7-23-18)15-10-21-22-17(15)9-11/h1-10,19H,(H,21,22)
InChIKeyWHMIMPGSHNAOOR-UHFFFAOYSA-N
MW300.32 g/mol
LogP4.37
Rot. Bonds2

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

2-[6-(1H-indol-4-yl)-1H-indazol-4-yl]-1,3-oxazole (PubChem CID 122212728) has the molecular formula C18H12N4O and a molecular weight of 300.32 g/mol. Its IUPAC name is 2-[6-(1H-indol-4-yl)-1H-indazol-4-yl]-1,3-oxazole.

Molecular Properties

Compound Name2-[6-(1H-indol-4-yl)-1H-indazol-4-yl]-1,3-oxazole
PubChem CID122212728
Molecular FormulaC18H12N4O
Molecular Weight300.32 g/mol
Exact Mass300.10
IUPAC Name2-[6-(1H-indol-4-yl)-1H-indazol-4-yl]-1,3-oxazole
SMILESc1cc(-c2cc(-c3ncco3)c3cn[nH]c3c2)c2cc[nH]c2c1
InChIInChI=1S/C18H12N4O/c1-2-12(13-4-5-19-16(13)3-1)11-8-14(18-20-6-7-23-18)15-10-21-22-17(15)9-11/h1-10,19H,(H,21,22)
InChIKeyWHMIMPGSHNAOOR-UHFFFAOYSA-N
XLogP4.37
TPSA70.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.32
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[2-[6-(1H-indol-4-yl)-1H-indazol-4-yl]-1,3-oxazol-5-yl]methyl]-2,6-dimethylmorpholine
CID 90975633
4-[[5-[6-(1H-indol-4-yl)-1H-indazol-4-yl]-1,3,4-oxadiazol-2-yl]methyl]-2-methylmorpholine
CID 66695778
N-[6-(1H-indol-4-yl)-1H-indazol-4-yl]-5-propan-2-yl-1,3-oxazole-4-carboxamide
CID 44539956
N-[6-(1H-indol-4-yl)-1H-indazol-4-yl]-1-methylimidazole-2-carboxamide
CID 44540326
2,6-difluoro-N-[6-(1H-indol-4-yl)-1H-indazol-4-yl]benzamide
CID 44540134
2-ethoxy-N-[6-(1H-indol-4-yl)-1H-indazol-4-yl]pyridine-3-carboxamide
CID 44540319
7-(1H-indol-4-yl)-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazine
CID 66936733
N-[6-(1H-indol-4-yl)-1H-indazol-4-yl]-2-methoxy-4-methylbenzamide
CID 44540223
N-[6-(1H-indol-4-yl)-1H-indazol-4-yl]-5-(trifluoromethyl)furan-2-carboxamide;5-(trifluoromethyl)furan-2-carboxylic acid
CID 159646958
N-[6-(1H-indol-4-yl)-1H-indazol-4-yl]-2-propan-2-yltriazole-4-carboxamide
CID 44539853
(Z)-4-[amino(methyl)amino]-N-[6-(1H-indol-4-yl)-1H-indazol-4-yl]-2-methylidenebut-3-enamide
CID 89122382
N-[6-(1H-indol-4-yl)-1H-indazol-4-yl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 44540160

Frequently Asked Questions

What is the IUPAC name of 2-[6-(1H-indol-4-yl)-1H-indazol-4-yl]-1,3-oxazole?
The IUPAC name of 2-[6-(1H-indol-4-yl)-1H-indazol-4-yl]-1,3-oxazole (CID 122212728) is 2-[6-(1H-indol-4-yl)-1H-indazol-4-yl]-1,3-oxazole.
What is the SMILES notation for 2-[6-(1H-indol-4-yl)-1H-indazol-4-yl]-1,3-oxazole?
The canonical SMILES for 2-[6-(1H-indol-4-yl)-1H-indazol-4-yl]-1,3-oxazole is c1cc(-c2cc(-c3ncco3)c3cn[nH]c3c2)c2cc[nH]c2c1.
What is the InChIKey of 2-[6-(1H-indol-4-yl)-1H-indazol-4-yl]-1,3-oxazole?
The InChIKey is WHMIMPGSHNAOOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12N4O/c1-2-12(13-4-5-19-16(13)3-1)11-8-14(18-20-6-7-23-18)15-10-21-22-17(15)9-11/h1-10,19H,(H,21,22).
What are the key properties of 2-[6-(1H-indol-4-yl)-1H-indazol-4-yl]-1,3-oxazole?
2-[6-(1H-indol-4-yl)-1H-indazol-4-yl]-1,3-oxazole has a molecular weight of 300.32 g/mol, XLogP of 4.37, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(1H-indol-4-yl)-1H-indazol-4-yl]-1,3-oxazole is sourced from PubChem (CID 122212728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).