N-(2-hydroxyethyl)-5-methyl-N-(2,2,2-trifluoroethyl)-1,2-oxazole-4-carboxamide

C9H11F3N2O3 — CID 107483392

IUPACN-(2-hydroxyethyl)-5-methyl-N-(2,2,2-trifluoroethyl)-1,2-oxazole-4-carboxamide
SMILESCc1oncc1C(=O)N(CCO)CC(F)(F)F
InChIInChI=1S/C9H11F3N2O3/c1-6-7(4-13-17-6)8(16)14(2-3-15)5-9(10,11)12/h4,15H,2-3,5H2,1H3
InChIKeyXFHAGTPLJGHJMA-UHFFFAOYSA-N
MW252.19 g/mol
LogP0.98
Rot. Bonds4

About N-(2-hydroxyethyl)-5-methyl-N-(2,2,2-trifluoroethyl)-1,2-oxazole-4-carboxamide

N-(2-hydroxyethyl)-5-methyl-N-(2,2,2-trifluoroethyl)-1,2-oxazole-4-carboxamide (PubChem CID 107483392) has the molecular formula C9H11F3N2O3 and a molecular weight of 252.19 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-5-methyl-N-(2,2,2-trifluoroethyl)-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-5-methyl-N-(2,2,2-trifluoroethyl)-1,2-oxazole-4-carboxamide
PubChem CID107483392
Molecular FormulaC9H11F3N2O3
Molecular Weight252.19 g/mol
Exact Mass252.07
IUPAC NameN-(2-hydroxyethyl)-5-methyl-N-(2,2,2-trifluoroethyl)-1,2-oxazole-4-carboxamide
SMILESCc1oncc1C(=O)N(CCO)CC(F)(F)F
InChIInChI=1S/C9H11F3N2O3/c1-6-7(4-13-17-6)8(16)14(2-3-15)5-9(10,11)12/h4,15H,2-3,5H2,1H3
InChIKeyXFHAGTPLJGHJMA-UHFFFAOYSA-N
XLogP0.98
TPSA66.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.19
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-5-methyl-N-(2,2,2-trifluoroethyl)-1,2-oxazole-4-carboxamide?
The IUPAC name of N-(2-hydroxyethyl)-5-methyl-N-(2,2,2-trifluoroethyl)-1,2-oxazole-4-carboxamide (CID 107483392) is N-(2-hydroxyethyl)-5-methyl-N-(2,2,2-trifluoroethyl)-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-(2-hydroxyethyl)-5-methyl-N-(2,2,2-trifluoroethyl)-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-(2-hydroxyethyl)-5-methyl-N-(2,2,2-trifluoroethyl)-1,2-oxazole-4-carboxamide is Cc1oncc1C(=O)N(CCO)CC(F)(F)F.
What is the InChIKey of N-(2-hydroxyethyl)-5-methyl-N-(2,2,2-trifluoroethyl)-1,2-oxazole-4-carboxamide?
The InChIKey is XFHAGTPLJGHJMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3N2O3/c1-6-7(4-13-17-6)8(16)14(2-3-15)5-9(10,11)12/h4,15H,2-3,5H2,1H3.
What are the key properties of N-(2-hydroxyethyl)-5-methyl-N-(2,2,2-trifluoroethyl)-1,2-oxazole-4-carboxamide?
N-(2-hydroxyethyl)-5-methyl-N-(2,2,2-trifluoroethyl)-1,2-oxazole-4-carboxamide has a molecular weight of 252.19 g/mol, XLogP of 0.98, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-5-methyl-N-(2,2,2-trifluoroethyl)-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 107483392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).