N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-5-(1,3-oxazol-2-yl)-1H-indazole-3-carboxamide

C20H23N5O2 — CID 11610286

IUPACN-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-5-(1,3-oxazol-2-yl)-1H-indazole-3-carboxamide
SMILESCN1C2CCCC1CC(NC(=O)c1n[nH]c3ccc(-c4ncco4)cc13)C2
InChIInChI=1S/C20H23N5O2/c1-25-14-3-2-4-15(25)11-13(10-14)22-19(26)18-16-9-12(20-21-7-8-27-20)5-6-17(16)23-24-18/h5-9,13-15H,2-4,10-11H2,1H3,(H,22,26)(H,23,24)
InChIKeyGXYRBNFDOIRJAX-UHFFFAOYSA-N
MW365.44 g/mol
LogP2.96
Rot. Bonds3

About N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-5-(1,3-oxazol-2-yl)-1H-indazole-3-carboxamide

N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-5-(1,3-oxazol-2-yl)-1H-indazole-3-carboxamide (PubChem CID 11610286) has the molecular formula C20H23N5O2 and a molecular weight of 365.44 g/mol. Its IUPAC name is N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-5-(1,3-oxazol-2-yl)-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-5-(1,3-oxazol-2-yl)-1H-indazole-3-carboxamide
PubChem CID11610286
Molecular FormulaC20H23N5O2
Molecular Weight365.44 g/mol
Exact Mass365.19
IUPAC NameN-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-5-(1,3-oxazol-2-yl)-1H-indazole-3-carboxamide
SMILESCN1C2CCCC1CC(NC(=O)c1n[nH]c3ccc(-c4ncco4)cc13)C2
InChIInChI=1S/C20H23N5O2/c1-25-14-3-2-4-15(25)11-13(10-14)22-19(26)18-16-9-12(20-21-7-8-27-20)5-6-17(16)23-24-18/h5-9,13-15H,2-4,10-11H2,1H3,(H,22,26)(H,23,24)
InChIKeyGXYRBNFDOIRJAX-UHFFFAOYSA-N
XLogP2.96
TPSA87.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.44
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-5-(1,3-oxazol-2-yl)-1H-indazole-3-carboxamide?
The IUPAC name of N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-5-(1,3-oxazol-2-yl)-1H-indazole-3-carboxamide (CID 11610286) is N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-5-(1,3-oxazol-2-yl)-1H-indazole-3-carboxamide.
What is the SMILES notation for N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-5-(1,3-oxazol-2-yl)-1H-indazole-3-carboxamide?
The canonical SMILES for N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-5-(1,3-oxazol-2-yl)-1H-indazole-3-carboxamide is CN1C2CCCC1CC(NC(=O)c1n[nH]c3ccc(-c4ncco4)cc13)C2.
What is the InChIKey of N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-5-(1,3-oxazol-2-yl)-1H-indazole-3-carboxamide?
The InChIKey is GXYRBNFDOIRJAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O2/c1-25-14-3-2-4-15(25)11-13(10-14)22-19(26)18-16-9-12(20-21-7-8-27-20)5-6-17(16)23-24-18/h5-9,13-15H,2-4,10-11H2,1H3,(H,22,26)(H,23,24).
What are the key properties of N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-5-(1,3-oxazol-2-yl)-1H-indazole-3-carboxamide?
N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-5-(1,3-oxazol-2-yl)-1H-indazole-3-carboxamide has a molecular weight of 365.44 g/mol, XLogP of 2.96, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-5-(1,3-oxazol-2-yl)-1H-indazole-3-carboxamide is sourced from PubChem (CID 11610286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).