N-(2-methoxyethyl)-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide

C9H13N3O3 — CID 91959844

IUPACN-(2-methoxyethyl)-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide
SMILESCOCCNC(=O)c1cc2n(n1)CCO2
InChIInChI=1S/C9H13N3O3/c1-14-4-2-10-9(13)7-6-8-12(11-7)3-5-15-8/h6H,2-5H2,1H3,(H,10,13)
InChIKeyWKTDVYCMVZCENK-UHFFFAOYSA-N
MW211.22 g/mol
LogP-0.35
Rot. Bonds4

About N-(2-methoxyethyl)-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide

N-(2-methoxyethyl)-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide (PubChem CID 91959844) has the molecular formula C9H13N3O3 and a molecular weight of 211.22 g/mol. Its IUPAC name is N-(2-methoxyethyl)-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide
PubChem CID91959844
Molecular FormulaC9H13N3O3
Molecular Weight211.22 g/mol
Exact Mass211.10
IUPAC NameN-(2-methoxyethyl)-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide
SMILESCOCCNC(=O)c1cc2n(n1)CCO2
InChIInChI=1S/C9H13N3O3/c1-14-4-2-10-9(13)7-6-8-12(11-7)3-5-15-8/h6H,2-5H2,1H3,(H,10,13)
InChIKeyWKTDVYCMVZCENK-UHFFFAOYSA-N
XLogP-0.35
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 5-0.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(methylamino)-3-oxopropyl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide
CID 91959836
N-(3,3-diphenylpropyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide
CID 90536811
N-(2-methoxyethyl)-1,5-dimethylpyrazole-3-carboxamide
CID 19279762
N-(2-methoxyethyl)-1-(methoxymethyl)pyrazole-3-carboxamide
CID 19270943
5-[(4-ethylpiperazin-1-yl)methyl]-N-(2-methoxyethyl)-1,2-oxazole-3-carboxamide
CID 56741147
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide
CID 91959342
6-(4-fluorophenyl)-N-(2-methoxyethyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-carboxamide
CID 91894491
N-[(4-cyanophenyl)methyl]-N-(2-methoxyethyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide
CID 146089786
N-[(4-amino-2-methylpyrimidin-5-yl)methyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide
CID 138002545
5-[(2-fluorophenyl)methyl]-N-(2-methoxyethyl)-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide
CID 24716003
6-(4-acetylpiperazin-1-yl)-N-(2-methoxyethyl)pyridazine-3-carboxamide
CID 109113907
N-(2-methoxyethyl)-5-(2-morpholin-4-ylethylamino)pyridine-2-carboxamide
CID 109183829

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide?
The IUPAC name of N-(2-methoxyethyl)-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide (CID 91959844) is N-(2-methoxyethyl)-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide.
What is the SMILES notation for N-(2-methoxyethyl)-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide?
The canonical SMILES for N-(2-methoxyethyl)-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide is COCCNC(=O)c1cc2n(n1)CCO2.
What is the InChIKey of N-(2-methoxyethyl)-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide?
The InChIKey is WKTDVYCMVZCENK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O3/c1-14-4-2-10-9(13)7-6-8-12(11-7)3-5-15-8/h6H,2-5H2,1H3,(H,10,13).
What are the key properties of N-(2-methoxyethyl)-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide?
N-(2-methoxyethyl)-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide has a molecular weight of 211.22 g/mol, XLogP of -0.35, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide is sourced from PubChem (CID 91959844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).