3-methyl-5-propan-2-yl-N-(3,3,3-trifluoro-2-hydroxypropyl)-1,2-oxazole-4-carboxamide

C11H15F3N2O3 — CID 103723226

IUPAC3-methyl-5-propan-2-yl-N-(3,3,3-trifluoro-2-hydroxypropyl)-1,2-oxazole-4-carboxamide
SMILESCc1noc(C(C)C)c1C(=O)NCC(O)C(F)(F)F
InChIInChI=1S/C11H15F3N2O3/c1-5(2)9-8(6(3)16-19-9)10(18)15-4-7(17)11(12,13)14/h5,7,17H,4H2,1-3H3,(H,15,18)
InChIKeyIBBHJVXUUHGCIR-UHFFFAOYSA-N
MW280.25 g/mol
LogP1.76
Rot. Bonds4

About 3-methyl-5-propan-2-yl-N-(3,3,3-trifluoro-2-hydroxypropyl)-1,2-oxazole-4-carboxamide

3-methyl-5-propan-2-yl-N-(3,3,3-trifluoro-2-hydroxypropyl)-1,2-oxazole-4-carboxamide (PubChem CID 103723226) has the molecular formula C11H15F3N2O3 and a molecular weight of 280.25 g/mol. Its IUPAC name is 3-methyl-5-propan-2-yl-N-(3,3,3-trifluoro-2-hydroxypropyl)-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name3-methyl-5-propan-2-yl-N-(3,3,3-trifluoro-2-hydroxypropyl)-1,2-oxazole-4-carboxamide
PubChem CID103723226
Molecular FormulaC11H15F3N2O3
Molecular Weight280.25 g/mol
Exact Mass280.10
IUPAC Name3-methyl-5-propan-2-yl-N-(3,3,3-trifluoro-2-hydroxypropyl)-1,2-oxazole-4-carboxamide
SMILESCc1noc(C(C)C)c1C(=O)NCC(O)C(F)(F)F
InChIInChI=1S/C11H15F3N2O3/c1-5(2)9-8(6(3)16-19-9)10(18)15-4-7(17)11(12,13)14/h5,7,17H,4H2,1-3H3,(H,15,18)
InChIKeyIBBHJVXUUHGCIR-UHFFFAOYSA-N
XLogP1.76
TPSA75.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.25
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-propan-2-yl-N-(3,3,3-trifluoro-2-hydroxypropyl)-1,2-oxazole-4-carboxamide?
The IUPAC name of 3-methyl-5-propan-2-yl-N-(3,3,3-trifluoro-2-hydroxypropyl)-1,2-oxazole-4-carboxamide (CID 103723226) is 3-methyl-5-propan-2-yl-N-(3,3,3-trifluoro-2-hydroxypropyl)-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 3-methyl-5-propan-2-yl-N-(3,3,3-trifluoro-2-hydroxypropyl)-1,2-oxazole-4-carboxamide?
The canonical SMILES for 3-methyl-5-propan-2-yl-N-(3,3,3-trifluoro-2-hydroxypropyl)-1,2-oxazole-4-carboxamide is Cc1noc(C(C)C)c1C(=O)NCC(O)C(F)(F)F.
What is the InChIKey of 3-methyl-5-propan-2-yl-N-(3,3,3-trifluoro-2-hydroxypropyl)-1,2-oxazole-4-carboxamide?
The InChIKey is IBBHJVXUUHGCIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N2O3/c1-5(2)9-8(6(3)16-19-9)10(18)15-4-7(17)11(12,13)14/h5,7,17H,4H2,1-3H3,(H,15,18).
What are the key properties of 3-methyl-5-propan-2-yl-N-(3,3,3-trifluoro-2-hydroxypropyl)-1,2-oxazole-4-carboxamide?
3-methyl-5-propan-2-yl-N-(3,3,3-trifluoro-2-hydroxypropyl)-1,2-oxazole-4-carboxamide has a molecular weight of 280.25 g/mol, XLogP of 1.76, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-propan-2-yl-N-(3,3,3-trifluoro-2-hydroxypropyl)-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 103723226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).