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

C11H16F3N3O2 — CID 106372666

IUPAC2-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-N-(2,2,2-trifluoroethyl)propanamide
SMILESCc1nc(CNC(C)C(=O)NCC(F)(F)F)oc1C
InChIInChI=1S/C11H16F3N3O2/c1-6-8(3)19-9(17-6)4-15-7(2)10(18)16-5-11(12,13)14/h7,15H,4-5H2,1-3H3,(H,16,18)
InChIKeyOXNLKICOOHZPNK-UHFFFAOYSA-N
MW279.26 g/mol
LogP1.45
Rot. Bonds5

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

2-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-N-(2,2,2-trifluoroethyl)propanamide (PubChem CID 106372666) has the molecular formula C11H16F3N3O2 and a molecular weight of 279.26 g/mol. Its IUPAC name is 2-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-N-(2,2,2-trifluoroethyl)propanamide.

Molecular Properties

Compound Name2-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-N-(2,2,2-trifluoroethyl)propanamide
PubChem CID106372666
Molecular FormulaC11H16F3N3O2
Molecular Weight279.26 g/mol
Exact Mass279.12
IUPAC Name2-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-N-(2,2,2-trifluoroethyl)propanamide
SMILESCc1nc(CNC(C)C(=O)NCC(F)(F)F)oc1C
InChIInChI=1S/C11H16F3N3O2/c1-6-8(3)19-9(17-6)4-15-7(2)10(18)16-5-11(12,13)14/h7,15H,4-5H2,1-3H3,(H,16,18)
InChIKeyOXNLKICOOHZPNK-UHFFFAOYSA-N
XLogP1.45
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 ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-N-(2,2,2-trifluoroethyl)propanamide?
The IUPAC name of 2-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-N-(2,2,2-trifluoroethyl)propanamide (CID 106372666) is 2-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-N-(2,2,2-trifluoroethyl)propanamide.
What is the SMILES notation for 2-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-N-(2,2,2-trifluoroethyl)propanamide?
The canonical SMILES for 2-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-N-(2,2,2-trifluoroethyl)propanamide is Cc1nc(CNC(C)C(=O)NCC(F)(F)F)oc1C.
What is the InChIKey of 2-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-N-(2,2,2-trifluoroethyl)propanamide?
The InChIKey is OXNLKICOOHZPNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3N3O2/c1-6-8(3)19-9(17-6)4-15-7(2)10(18)16-5-11(12,13)14/h7,15H,4-5H2,1-3H3,(H,16,18).
What are the key properties of 2-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-N-(2,2,2-trifluoroethyl)propanamide?
2-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-N-(2,2,2-trifluoroethyl)propanamide has a molecular weight of 279.26 g/mol, XLogP of 1.45, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-N-(2,2,2-trifluoroethyl)propanamide is sourced from PubChem (CID 106372666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).