2-[2-(2,2-difluoroethoxy)ethyl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide

C10H13F2N3O3 — CID 167414269

IUPAC2-[2-(2,2-difluoroethoxy)ethyl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide
SMILESNC(=O)c1cc2n(n1)CC(CCOCC(F)F)O2
InChIInChI=1S/C10H13F2N3O3/c11-8(12)5-17-2-1-6-4-15-9(18-6)3-7(14-15)10(13)16/h3,6,8H,1-2,4-5H2,(H2,13,16)
InChIKeyXWPBKNJQYKEDPM-UHFFFAOYSA-N
MW261.23 g/mol
LogP0.41
Rot. Bonds6

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

2-[2-(2,2-difluoroethoxy)ethyl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide (PubChem CID 167414269) has the molecular formula C10H13F2N3O3 and a molecular weight of 261.23 g/mol. Its IUPAC name is 2-[2-(2,2-difluoroethoxy)ethyl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide.

Molecular Properties

Compound Name2-[2-(2,2-difluoroethoxy)ethyl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide
PubChem CID167414269
Molecular FormulaC10H13F2N3O3
Molecular Weight261.23 g/mol
Exact Mass261.09
IUPAC Name2-[2-(2,2-difluoroethoxy)ethyl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide
SMILESNC(=O)c1cc2n(n1)CC(CCOCC(F)F)O2
InChIInChI=1S/C10H13F2N3O3/c11-8(12)5-17-2-1-6-4-15-9(18-6)3-7(14-15)10(13)16/h3,6,8H,1-2,4-5H2,(H2,13,16)
InChIKeyXWPBKNJQYKEDPM-UHFFFAOYSA-N
XLogP0.41
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.23
LogP ≤ 50.41
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

2,3-Dihydropyrazolo(5,1-b)oxazole-6-carboxaldehyde
CID 21941483
N-[(1R)-1-cyclohexyl-2,2-difluoroethyl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide
CID 164632353
5-(difluoromethoxy)-1-methyl-1H-pyrazole-3-carboxamide
CID 53731990
2-[2-(2,2,2-Trifluoroethylamino)ethyl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxylic acid
CID 146450852
2-[2-(3,3-Difluoropyrrolidin-1-yl)ethyl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxylic acid
CID 150133775
2-[3-(Difluoromethoxy)propyl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxylic acid
CID 150344852
2-[2-(2,2,2-Trifluoroethoxy)ethoxymethyl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxylic acid
CID 150513468
2-[2-(2,2,2-Trifluoroethoxy)ethyl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxylic acid
CID 150533227
Ethyl 2-[2-(2,2,2-trifluoroethylamino)ethyl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxylate
CID 150802408
Ethyl 2-(1,1-difluoro-2-hydroxyethyl)-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxylate
CID 151050312
2-(2,2,2-Trifluoroethoxymethyl)-2,3-dihydropyrazolo[5,1-b]oxazole-6-carboxylic acid
CID 151439954
2-[2-(3,3-Difluoroazetidin-1-yl)ethyl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxylic acid
CID 151532358

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,2-difluoroethoxy)ethyl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide?
The IUPAC name of 2-[2-(2,2-difluoroethoxy)ethyl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide (CID 167414269) is 2-[2-(2,2-difluoroethoxy)ethyl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide.
What is the SMILES notation for 2-[2-(2,2-difluoroethoxy)ethyl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide?
The canonical SMILES for 2-[2-(2,2-difluoroethoxy)ethyl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide is NC(=O)c1cc2n(n1)CC(CCOCC(F)F)O2.
What is the InChIKey of 2-[2-(2,2-difluoroethoxy)ethyl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide?
The InChIKey is XWPBKNJQYKEDPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F2N3O3/c11-8(12)5-17-2-1-6-4-15-9(18-6)3-7(14-15)10(13)16/h3,6,8H,1-2,4-5H2,(H2,13,16).
What are the key properties of 2-[2-(2,2-difluoroethoxy)ethyl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide?
2-[2-(2,2-difluoroethoxy)ethyl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide has a molecular weight of 261.23 g/mol, XLogP of 0.41, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,2-difluoroethoxy)ethyl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide is sourced from PubChem (CID 167414269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).