N-[[2-(trifluoromethyl)pyrimidin-5-yl]methyl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide

C12H10F3N5O2 — CID 167745050

IUPACN-[[2-(trifluoromethyl)pyrimidin-5-yl]methyl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide
SMILESO=C(NCc1cnc(C(F)(F)F)nc1)c1cc2n(n1)CCO2
InChIInChI=1S/C12H10F3N5O2/c13-12(14,15)11-17-5-7(6-18-11)4-16-10(21)8-3-9-20(19-8)1-2-22-9/h3,5-6H,1-2,4H2,(H,16,21)
InChIKeyQBSDEFRKCCMYII-UHFFFAOYSA-N
MW313.24 g/mol
LogP1.01
Rot. Bonds3

About N-[[2-(trifluoromethyl)pyrimidin-5-yl]methyl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide

N-[[2-(trifluoromethyl)pyrimidin-5-yl]methyl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide (PubChem CID 167745050) has the molecular formula C12H10F3N5O2 and a molecular weight of 313.24 g/mol. Its IUPAC name is N-[[2-(trifluoromethyl)pyrimidin-5-yl]methyl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide.

Molecular Properties

Compound NameN-[[2-(trifluoromethyl)pyrimidin-5-yl]methyl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide
PubChem CID167745050
Molecular FormulaC12H10F3N5O2
Molecular Weight313.24 g/mol
Exact Mass313.08
IUPAC NameN-[[2-(trifluoromethyl)pyrimidin-5-yl]methyl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide
SMILESO=C(NCc1cnc(C(F)(F)F)nc1)c1cc2n(n1)CCO2
InChIInChI=1S/C12H10F3N5O2/c13-12(14,15)11-17-5-7(6-18-11)4-16-10(21)8-3-9-20(19-8)1-2-22-9/h3,5-6H,1-2,4H2,(H,16,21)
InChIKeyQBSDEFRKCCMYII-UHFFFAOYSA-N
XLogP1.01
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.24
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(trifluoromethyl)pyrimidin-5-yl]methyl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide?
The IUPAC name of N-[[2-(trifluoromethyl)pyrimidin-5-yl]methyl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide (CID 167745050) is N-[[2-(trifluoromethyl)pyrimidin-5-yl]methyl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide.
What is the SMILES notation for N-[[2-(trifluoromethyl)pyrimidin-5-yl]methyl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide?
The canonical SMILES for N-[[2-(trifluoromethyl)pyrimidin-5-yl]methyl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide is O=C(NCc1cnc(C(F)(F)F)nc1)c1cc2n(n1)CCO2.
What is the InChIKey of N-[[2-(trifluoromethyl)pyrimidin-5-yl]methyl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide?
The InChIKey is QBSDEFRKCCMYII-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F3N5O2/c13-12(14,15)11-17-5-7(6-18-11)4-16-10(21)8-3-9-20(19-8)1-2-22-9/h3,5-6H,1-2,4H2,(H,16,21).
What are the key properties of N-[[2-(trifluoromethyl)pyrimidin-5-yl]methyl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide?
N-[[2-(trifluoromethyl)pyrimidin-5-yl]methyl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide has a molecular weight of 313.24 g/mol, XLogP of 1.01, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(trifluoromethyl)pyrimidin-5-yl]methyl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide is sourced from PubChem (CID 167745050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).