ethyl 2-(1,1-difluoro-2-hydroxyethyl)-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxylate

C10H12F2N2O4 — CID 151050312

IUPACethyl 2-(1,1-difluoro-2-hydroxyethyl)-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxylate
SMILESCCOC(=O)c1cc2n(n1)CC(C(F)(F)CO)O2
InChIInChI=1S/C10H12F2N2O4/c1-2-17-9(16)6-3-8-14(13-6)4-7(18-8)10(11,12)5-15/h3,7,15H,2,4-5H2,1H3
InChIKeyMDZGYTZLXMMSFR-UHFFFAOYSA-N
MW262.21 g/mol
LogP0.45
Rot. Bonds4

About ethyl 2-(1,1-difluoro-2-hydroxyethyl)-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxylate

ethyl 2-(1,1-difluoro-2-hydroxyethyl)-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxylate (PubChem CID 151050312) has the molecular formula C10H12F2N2O4 and a molecular weight of 262.21 g/mol. Its IUPAC name is ethyl 2-(1,1-difluoro-2-hydroxyethyl)-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxylate.

Molecular Properties

Compound Nameethyl 2-(1,1-difluoro-2-hydroxyethyl)-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxylate
PubChem CID151050312
Molecular FormulaC10H12F2N2O4
Molecular Weight262.21 g/mol
Exact Mass262.08
IUPAC Nameethyl 2-(1,1-difluoro-2-hydroxyethyl)-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxylate
SMILESCCOC(=O)c1cc2n(n1)CC(C(F)(F)CO)O2
InChIInChI=1S/C10H12F2N2O4/c1-2-17-9(16)6-3-8-14(13-6)4-7(18-8)10(11,12)5-15/h3,7,15H,2,4-5H2,1H3
InChIKeyMDZGYTZLXMMSFR-UHFFFAOYSA-N
XLogP0.45
TPSA73.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.21
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(1,1-difluoro-2-hydroxyethyl)-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxylate?
The IUPAC name of ethyl 2-(1,1-difluoro-2-hydroxyethyl)-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxylate (CID 151050312) is ethyl 2-(1,1-difluoro-2-hydroxyethyl)-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxylate.
What is the SMILES notation for ethyl 2-(1,1-difluoro-2-hydroxyethyl)-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxylate?
The canonical SMILES for ethyl 2-(1,1-difluoro-2-hydroxyethyl)-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxylate is CCOC(=O)c1cc2n(n1)CC(C(F)(F)CO)O2.
What is the InChIKey of ethyl 2-(1,1-difluoro-2-hydroxyethyl)-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxylate?
The InChIKey is MDZGYTZLXMMSFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F2N2O4/c1-2-17-9(16)6-3-8-14(13-6)4-7(18-8)10(11,12)5-15/h3,7,15H,2,4-5H2,1H3.
What are the key properties of ethyl 2-(1,1-difluoro-2-hydroxyethyl)-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxylate?
ethyl 2-(1,1-difluoro-2-hydroxyethyl)-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxylate has a molecular weight of 262.21 g/mol, XLogP of 0.45, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(1,1-difluoro-2-hydroxyethyl)-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxylate is sourced from PubChem (CID 151050312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).