N-(3-indazol-1-ylpropyl)-7-methyl-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide

C17H19N5O2 — CID 91959910

IUPACN-(3-indazol-1-ylpropyl)-7-methyl-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide
SMILESCc1c(C(=O)NCCCn2ncc3ccccc32)nn2c1OCC2
InChIInChI=1S/C17H19N5O2/c1-12-15(20-22-9-10-24-17(12)22)16(23)18-7-4-8-21-14-6-3-2-5-13(14)11-19-21/h2-3,5-6,11H,4,7-10H2,1H3,(H,18,23)
InChIKeyCKYVNMFJMCZQKC-UHFFFAOYSA-N
MW325.37 g/mol
LogP1.75
Rot. Bonds5

About N-(3-indazol-1-ylpropyl)-7-methyl-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide

N-(3-indazol-1-ylpropyl)-7-methyl-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide (PubChem CID 91959910) has the molecular formula C17H19N5O2 and a molecular weight of 325.37 g/mol. Its IUPAC name is N-(3-indazol-1-ylpropyl)-7-methyl-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide.

Molecular Properties

Compound NameN-(3-indazol-1-ylpropyl)-7-methyl-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide
PubChem CID91959910
Molecular FormulaC17H19N5O2
Molecular Weight325.37 g/mol
Exact Mass325.15
IUPAC NameN-(3-indazol-1-ylpropyl)-7-methyl-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide
SMILESCc1c(C(=O)NCCCn2ncc3ccccc32)nn2c1OCC2
InChIInChI=1S/C17H19N5O2/c1-12-15(20-22-9-10-24-17(12)22)16(23)18-7-4-8-21-14-6-3-2-5-13(14)11-19-21/h2-3,5-6,11H,4,7-10H2,1H3,(H,18,23)
InChIKeyCKYVNMFJMCZQKC-UHFFFAOYSA-N
XLogP1.75
TPSA73.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

7-fluoro-N-[3-(4-methylindazol-1-yl)propyl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide
CID 91960060
7-methyl-N-[3-(2-methylimidazol-1-yl)propyl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide
CID 91959914
N-(3-indazol-1-ylpropyl)-5-phenyl-1,2-oxazole-3-carboxamide
CID 121367715
2-(2,5-dimethyl-6-oxo-1H-pyrimidin-4-yl)-N-(3-indazol-1-ylpropyl)acetamide
CID 136663278
3-chloro-N-(3-indol-1-ylpropyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide
CID 91959575
N-(3-indazol-1-ylpropyl)-3-methylsulfonylpropanamide
CID 131934698
N-(3-indazol-1-ylpropyl)-1-propan-2-ylpiperidine-4-carboxamide
CID 72845118
(2R)-N-(3-indazol-1-ylpropyl)-2-(methanesulfonamido)propanamide
CID 124844866
N-(3-indazol-1-ylpropyl)-2-(methanesulfonamido)propanamide
CID 91837892
7-methyl-N-[2-(4-propylsulfonylpiperazin-1-yl)ethyl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide
CID 91959930
2-(4-acetyl-3,5-dimethylpyrazol-1-yl)-N-(3-indazol-1-ylpropyl)acetamide
CID 131914311
2-bromo-N-(3-indazol-1-ylpropyl)-4-methoxy-1-benzofuran-6-carboxamide
CID 91958083

Frequently Asked Questions

What is the IUPAC name of N-(3-indazol-1-ylpropyl)-7-methyl-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide?
The IUPAC name of N-(3-indazol-1-ylpropyl)-7-methyl-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide (CID 91959910) is N-(3-indazol-1-ylpropyl)-7-methyl-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide.
What is the SMILES notation for N-(3-indazol-1-ylpropyl)-7-methyl-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide?
The canonical SMILES for N-(3-indazol-1-ylpropyl)-7-methyl-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide is Cc1c(C(=O)NCCCn2ncc3ccccc32)nn2c1OCC2.
What is the InChIKey of N-(3-indazol-1-ylpropyl)-7-methyl-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide?
The InChIKey is CKYVNMFJMCZQKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O2/c1-12-15(20-22-9-10-24-17(12)22)16(23)18-7-4-8-21-14-6-3-2-5-13(14)11-19-21/h2-3,5-6,11H,4,7-10H2,1H3,(H,18,23).
What are the key properties of N-(3-indazol-1-ylpropyl)-7-methyl-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide?
N-(3-indazol-1-ylpropyl)-7-methyl-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide has a molecular weight of 325.37 g/mol, XLogP of 1.75, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-indazol-1-ylpropyl)-7-methyl-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide is sourced from PubChem (CID 91959910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).