3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(2,2,2-trifluoroethyl)propanamide

C10H13F3N2O2 — CID 45497131

IUPAC3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(2,2,2-trifluoroethyl)propanamide
SMILESCc1noc(C)c1CCC(=O)NCC(F)(F)F
InChIInChI=1S/C10H13F3N2O2/c1-6-8(7(2)17-15-6)3-4-9(16)14-5-10(11,12)13/h3-5H2,1-2H3,(H,14,16)
InChIKeyHVKJRNOSPPBWPR-UHFFFAOYSA-N
MW250.22 g/mol
LogP1.90
Rot. Bonds4

About 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(2,2,2-trifluoroethyl)propanamide

3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(2,2,2-trifluoroethyl)propanamide (PubChem CID 45497131) has the molecular formula C10H13F3N2O2 and a molecular weight of 250.22 g/mol. Its IUPAC name is 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(2,2,2-trifluoroethyl)propanamide.

Molecular Properties

Compound Name3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(2,2,2-trifluoroethyl)propanamide
PubChem CID45497131
Molecular FormulaC10H13F3N2O2
Molecular Weight250.22 g/mol
Exact Mass250.09
IUPAC Name3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(2,2,2-trifluoroethyl)propanamide
SMILESCc1noc(C)c1CCC(=O)NCC(F)(F)F
InChIInChI=1S/C10H13F3N2O2/c1-6-8(7(2)17-15-6)3-4-9(16)14-5-10(11,12)13/h3-5H2,1-2H3,(H,14,16)
InChIKeyHVKJRNOSPPBWPR-UHFFFAOYSA-N
XLogP1.90
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.22
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(2,2,2-trifluoroethyl)propanamide?
The IUPAC name of 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(2,2,2-trifluoroethyl)propanamide (CID 45497131) is 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(2,2,2-trifluoroethyl)propanamide.
What is the SMILES notation for 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(2,2,2-trifluoroethyl)propanamide?
The canonical SMILES for 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(2,2,2-trifluoroethyl)propanamide is Cc1noc(C)c1CCC(=O)NCC(F)(F)F.
What is the InChIKey of 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(2,2,2-trifluoroethyl)propanamide?
The InChIKey is HVKJRNOSPPBWPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N2O2/c1-6-8(7(2)17-15-6)3-4-9(16)14-5-10(11,12)13/h3-5H2,1-2H3,(H,14,16).
What are the key properties of 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(2,2,2-trifluoroethyl)propanamide?
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(2,2,2-trifluoroethyl)propanamide has a molecular weight of 250.22 g/mol, XLogP of 1.90, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(2,2,2-trifluoroethyl)propanamide is sourced from PubChem (CID 45497131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).