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

C10H12F3N3O3 — CID 151298679

IUPAC2-(1-ethoxy-2,2,2-trifluoroethyl)-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide
SMILESCCOC(C1Cn2nc(C(N)=O)cc2O1)C(F)(F)F
InChIInChI=1S/C10H12F3N3O3/c1-2-18-8(10(11,12)13)6-4-16-7(19-6)3-5(15-16)9(14)17/h3,6,8H,2,4H2,1H3,(H2,14,17)
InChIKeyOBYMPAMQOOPCNQ-UHFFFAOYSA-N
MW279.22 g/mol
LogP0.71
Rot. Bonds4

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

2-(1-ethoxy-2,2,2-trifluoroethyl)-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide (PubChem CID 151298679) has the molecular formula C10H12F3N3O3 and a molecular weight of 279.22 g/mol. Its IUPAC name is 2-(1-ethoxy-2,2,2-trifluoroethyl)-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide.

Molecular Properties

Compound Name2-(1-ethoxy-2,2,2-trifluoroethyl)-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide
PubChem CID151298679
Molecular FormulaC10H12F3N3O3
Molecular Weight279.22 g/mol
Exact Mass279.08
IUPAC Name2-(1-ethoxy-2,2,2-trifluoroethyl)-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide
SMILESCCOC(C1Cn2nc(C(N)=O)cc2O1)C(F)(F)F
InChIInChI=1S/C10H12F3N3O3/c1-2-18-8(10(11,12)13)6-4-16-7(19-6)3-5(15-16)9(14)17/h3,6,8H,2,4H2,1H3,(H2,14,17)
InChIKeyOBYMPAMQOOPCNQ-UHFFFAOYSA-N
XLogP0.71
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.22
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(1-ethoxy-2,2,2-trifluoroethyl)-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide?
The IUPAC name of 2-(1-ethoxy-2,2,2-trifluoroethyl)-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide (CID 151298679) is 2-(1-ethoxy-2,2,2-trifluoroethyl)-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide.
What is the SMILES notation for 2-(1-ethoxy-2,2,2-trifluoroethyl)-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide?
The canonical SMILES for 2-(1-ethoxy-2,2,2-trifluoroethyl)-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide is CCOC(C1Cn2nc(C(N)=O)cc2O1)C(F)(F)F.
What is the InChIKey of 2-(1-ethoxy-2,2,2-trifluoroethyl)-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide?
The InChIKey is OBYMPAMQOOPCNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3N3O3/c1-2-18-8(10(11,12)13)6-4-16-7(19-6)3-5(15-16)9(14)17/h3,6,8H,2,4H2,1H3,(H2,14,17).
What are the key properties of 2-(1-ethoxy-2,2,2-trifluoroethyl)-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide?
2-(1-ethoxy-2,2,2-trifluoroethyl)-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide has a molecular weight of 279.22 g/mol, XLogP of 0.71, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethoxy-2,2,2-trifluoroethyl)-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide is sourced from PubChem (CID 151298679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).