2-[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]-N-(2,2,2-trifluoroethyl)propanamide

C11H16F3N3O2 — CID 103893580

IUPAC2-[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]-N-(2,2,2-trifluoroethyl)propanamide
SMILESCc1cnc(C(C)NC(C)C(=O)NCC(F)(F)F)o1
InChIInChI=1S/C11H16F3N3O2/c1-6-4-15-10(19-6)8(3)17-7(2)9(18)16-5-11(12,13)14/h4,7-8,17H,5H2,1-3H3,(H,16,18)
InChIKeySEJBFPXJGJUSAB-UHFFFAOYSA-N
MW279.26 g/mol
LogP1.70
Rot. Bonds5

About 2-[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]-N-(2,2,2-trifluoroethyl)propanamide

2-[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]-N-(2,2,2-trifluoroethyl)propanamide (PubChem CID 103893580) has the molecular formula C11H16F3N3O2 and a molecular weight of 279.26 g/mol. Its IUPAC name is 2-[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]-N-(2,2,2-trifluoroethyl)propanamide.

Molecular Properties

Compound Name2-[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]-N-(2,2,2-trifluoroethyl)propanamide
PubChem CID103893580
Molecular FormulaC11H16F3N3O2
Molecular Weight279.26 g/mol
Exact Mass279.12
IUPAC Name2-[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]-N-(2,2,2-trifluoroethyl)propanamide
SMILESCc1cnc(C(C)NC(C)C(=O)NCC(F)(F)F)o1
InChIInChI=1S/C11H16F3N3O2/c1-6-4-15-10(19-6)8(3)17-7(2)9(18)16-5-11(12,13)14/h4,7-8,17H,5H2,1-3H3,(H,16,18)
InChIKeySEJBFPXJGJUSAB-UHFFFAOYSA-N
XLogP1.70
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.26
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]-N-(2,2,2-trifluoroethyl)propanamide?
The IUPAC name of 2-[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]-N-(2,2,2-trifluoroethyl)propanamide (CID 103893580) is 2-[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]-N-(2,2,2-trifluoroethyl)propanamide.
What is the SMILES notation for 2-[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]-N-(2,2,2-trifluoroethyl)propanamide?
The canonical SMILES for 2-[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]-N-(2,2,2-trifluoroethyl)propanamide is Cc1cnc(C(C)NC(C)C(=O)NCC(F)(F)F)o1.
What is the InChIKey of 2-[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]-N-(2,2,2-trifluoroethyl)propanamide?
The InChIKey is SEJBFPXJGJUSAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3N3O2/c1-6-4-15-10(19-6)8(3)17-7(2)9(18)16-5-11(12,13)14/h4,7-8,17H,5H2,1-3H3,(H,16,18).
What are the key properties of 2-[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]-N-(2,2,2-trifluoroethyl)propanamide?
2-[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]-N-(2,2,2-trifluoroethyl)propanamide has a molecular weight of 279.26 g/mol, XLogP of 1.70, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]-N-(2,2,2-trifluoroethyl)propanamide is sourced from PubChem (CID 103893580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).