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

C8H9F2N3O3 — CID 167414132

IUPAC2-(difluoromethoxymethyl)-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide
SMILESNC(=O)c1cc2n(n1)CC(COC(F)F)O2
InChIInChI=1S/C8H9F2N3O3/c9-8(10)15-3-4-2-13-6(16-4)1-5(12-13)7(11)14/h1,4,8H,2-3H2,(H2,11,14)
InChIKeyODBPZBLLIAZRHA-UHFFFAOYSA-N
MW233.17 g/mol
LogP-0.02
Rot. Bonds4

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

2-(difluoromethoxymethyl)-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide (PubChem CID 167414132) has the molecular formula C8H9F2N3O3 and a molecular weight of 233.17 g/mol. Its IUPAC name is 2-(difluoromethoxymethyl)-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide.

Molecular Properties

Compound Name2-(difluoromethoxymethyl)-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide
PubChem CID167414132
Molecular FormulaC8H9F2N3O3
Molecular Weight233.17 g/mol
Exact Mass233.06
IUPAC Name2-(difluoromethoxymethyl)-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide
SMILESNC(=O)c1cc2n(n1)CC(COC(F)F)O2
InChIInChI=1S/C8H9F2N3O3/c9-8(10)15-3-4-2-13-6(16-4)1-5(12-13)7(11)14/h1,4,8H,2-3H2,(H2,11,14)
InChIKeyODBPZBLLIAZRHA-UHFFFAOYSA-N
XLogP-0.02
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.17
LogP ≤ 5-0.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethoxymethyl)-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide?
The IUPAC name of 2-(difluoromethoxymethyl)-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide (CID 167414132) is 2-(difluoromethoxymethyl)-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide.
What is the SMILES notation for 2-(difluoromethoxymethyl)-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide?
The canonical SMILES for 2-(difluoromethoxymethyl)-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide is NC(=O)c1cc2n(n1)CC(COC(F)F)O2.
What is the InChIKey of 2-(difluoromethoxymethyl)-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide?
The InChIKey is ODBPZBLLIAZRHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F2N3O3/c9-8(10)15-3-4-2-13-6(16-4)1-5(12-13)7(11)14/h1,4,8H,2-3H2,(H2,11,14).
What are the key properties of 2-(difluoromethoxymethyl)-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide?
2-(difluoromethoxymethyl)-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide has a molecular weight of 233.17 g/mol, XLogP of -0.02, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethoxymethyl)-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide is sourced from PubChem (CID 167414132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).