5-methyl-N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)-1,2-oxazole-3-carboxamide

C12H15F3N2O3 — CID 71796132

IUPAC5-methyl-N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)-1,2-oxazole-3-carboxamide
SMILESCc1cc(C(=O)N(CC(F)(F)F)C2CCOCC2)no1
InChIInChI=1S/C12H15F3N2O3/c1-8-6-10(16-20-8)11(18)17(7-12(13,14)15)9-2-4-19-5-3-9/h6,9H,2-5,7H2,1H3
InChIKeyWIDGPPNBKOJULS-UHFFFAOYSA-N
MW292.26 g/mol
LogP2.17
Rot. Bonds3

About 5-methyl-N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)-1,2-oxazole-3-carboxamide

5-methyl-N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)-1,2-oxazole-3-carboxamide (PubChem CID 71796132) has the molecular formula C12H15F3N2O3 and a molecular weight of 292.26 g/mol. Its IUPAC name is 5-methyl-N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-methyl-N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)-1,2-oxazole-3-carboxamide
PubChem CID71796132
Molecular FormulaC12H15F3N2O3
Molecular Weight292.26 g/mol
Exact Mass292.10
IUPAC Name5-methyl-N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)-1,2-oxazole-3-carboxamide
SMILESCc1cc(C(=O)N(CC(F)(F)F)C2CCOCC2)no1
InChIInChI=1S/C12H15F3N2O3/c1-8-6-10(16-20-8)11(18)17(7-12(13,14)15)9-2-4-19-5-3-9/h6,9H,2-5,7H2,1H3
InChIKeyWIDGPPNBKOJULS-UHFFFAOYSA-N
XLogP2.17
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.26
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-methyl-N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)-1,2-oxazole-3-carboxamide (CID 71796132) is 5-methyl-N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-methyl-N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-methyl-N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)-1,2-oxazole-3-carboxamide is Cc1cc(C(=O)N(CC(F)(F)F)C2CCOCC2)no1.
What is the InChIKey of 5-methyl-N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)-1,2-oxazole-3-carboxamide?
The InChIKey is WIDGPPNBKOJULS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N2O3/c1-8-6-10(16-20-8)11(18)17(7-12(13,14)15)9-2-4-19-5-3-9/h6,9H,2-5,7H2,1H3.
What are the key properties of 5-methyl-N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)-1,2-oxazole-3-carboxamide?
5-methyl-N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)-1,2-oxazole-3-carboxamide has a molecular weight of 292.26 g/mol, XLogP of 2.17, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 71796132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).