2-[3-(difluoromethoxy)propyl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxylic acid

C10H12F2N2O4 — CID 150344852

IUPAC2-[3-(difluoromethoxy)propyl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxylic acid
SMILESO=C(O)c1cc2n(n1)CC(CCCOC(F)F)O2
InChIInChI=1S/C10H12F2N2O4/c11-10(12)17-3-1-2-6-5-14-8(18-6)4-7(13-14)9(15)16/h4,6,10H,1-3,5H2,(H,15,16)
InChIKeyGSLWYNRTWLVKNW-UHFFFAOYSA-N
MW262.21 g/mol
LogP1.36
Rot. Bonds6

About 2-[3-(difluoromethoxy)propyl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxylic acid

2-[3-(difluoromethoxy)propyl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxylic acid (PubChem CID 150344852) has the molecular formula C10H12F2N2O4 and a molecular weight of 262.21 g/mol. Its IUPAC name is 2-[3-(difluoromethoxy)propyl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxylic acid.

Molecular Properties

Compound Name2-[3-(difluoromethoxy)propyl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxylic acid
PubChem CID150344852
Molecular FormulaC10H12F2N2O4
Molecular Weight262.21 g/mol
Exact Mass262.08
IUPAC Name2-[3-(difluoromethoxy)propyl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxylic acid
SMILESO=C(O)c1cc2n(n1)CC(CCCOC(F)F)O2
InChIInChI=1S/C10H12F2N2O4/c11-10(12)17-3-1-2-6-5-14-8(18-6)4-7(13-14)9(15)16/h4,6,10H,1-3,5H2,(H,15,16)
InChIKeyGSLWYNRTWLVKNW-UHFFFAOYSA-N
XLogP1.36
TPSA73.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.21
LogP ≤ 51.36
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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Frequently Asked Questions

What is the IUPAC name of 2-[3-(difluoromethoxy)propyl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxylic acid?
The IUPAC name of 2-[3-(difluoromethoxy)propyl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxylic acid (CID 150344852) is 2-[3-(difluoromethoxy)propyl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxylic acid.
What is the SMILES notation for 2-[3-(difluoromethoxy)propyl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxylic acid?
The canonical SMILES for 2-[3-(difluoromethoxy)propyl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxylic acid is O=C(O)c1cc2n(n1)CC(CCCOC(F)F)O2.
What is the InChIKey of 2-[3-(difluoromethoxy)propyl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxylic acid?
The InChIKey is GSLWYNRTWLVKNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F2N2O4/c11-10(12)17-3-1-2-6-5-14-8(18-6)4-7(13-14)9(15)16/h4,6,10H,1-3,5H2,(H,15,16).
What are the key properties of 2-[3-(difluoromethoxy)propyl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxylic acid?
2-[3-(difluoromethoxy)propyl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxylic acid has a molecular weight of 262.21 g/mol, XLogP of 1.36, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(difluoromethoxy)propyl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxylic acid is sourced from PubChem (CID 150344852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).