5-amino-N-(1,2-oxazol-4-yl)-3-(trifluoromethyl)pentanamide

C9H12F3N3O2 — CID 112737872

IUPAC5-amino-N-(1,2-oxazol-4-yl)-3-(trifluoromethyl)pentanamide
SMILESNCCC(CC(=O)Nc1cnoc1)C(F)(F)F
InChIInChI=1S/C9H12F3N3O2/c10-9(11,12)6(1-2-13)3-8(16)15-7-4-14-17-5-7/h4-6H,1-3,13H2,(H,15,16)
InChIKeyFHSJUEVVWBSTHL-UHFFFAOYSA-N
MW251.21 g/mol
LogP1.53
Rot. Bonds5

About 5-amino-N-(1,2-oxazol-4-yl)-3-(trifluoromethyl)pentanamide

5-amino-N-(1,2-oxazol-4-yl)-3-(trifluoromethyl)pentanamide (PubChem CID 112737872) has the molecular formula C9H12F3N3O2 and a molecular weight of 251.21 g/mol. Its IUPAC name is 5-amino-N-(1,2-oxazol-4-yl)-3-(trifluoromethyl)pentanamide.

Molecular Properties

Compound Name5-amino-N-(1,2-oxazol-4-yl)-3-(trifluoromethyl)pentanamide
PubChem CID112737872
Molecular FormulaC9H12F3N3O2
Molecular Weight251.21 g/mol
Exact Mass251.09
IUPAC Name5-amino-N-(1,2-oxazol-4-yl)-3-(trifluoromethyl)pentanamide
SMILESNCCC(CC(=O)Nc1cnoc1)C(F)(F)F
InChIInChI=1S/C9H12F3N3O2/c10-9(11,12)6(1-2-13)3-8(16)15-7-4-14-17-5-7/h4-6H,1-3,13H2,(H,15,16)
InChIKeyFHSJUEVVWBSTHL-UHFFFAOYSA-N
XLogP1.53
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.21
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(1,2-oxazol-4-yl)-3-(trifluoromethyl)pentanamide?
The IUPAC name of 5-amino-N-(1,2-oxazol-4-yl)-3-(trifluoromethyl)pentanamide (CID 112737872) is 5-amino-N-(1,2-oxazol-4-yl)-3-(trifluoromethyl)pentanamide.
What is the SMILES notation for 5-amino-N-(1,2-oxazol-4-yl)-3-(trifluoromethyl)pentanamide?
The canonical SMILES for 5-amino-N-(1,2-oxazol-4-yl)-3-(trifluoromethyl)pentanamide is NCCC(CC(=O)Nc1cnoc1)C(F)(F)F.
What is the InChIKey of 5-amino-N-(1,2-oxazol-4-yl)-3-(trifluoromethyl)pentanamide?
The InChIKey is FHSJUEVVWBSTHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3N3O2/c10-9(11,12)6(1-2-13)3-8(16)15-7-4-14-17-5-7/h4-6H,1-3,13H2,(H,15,16).
What are the key properties of 5-amino-N-(1,2-oxazol-4-yl)-3-(trifluoromethyl)pentanamide?
5-amino-N-(1,2-oxazol-4-yl)-3-(trifluoromethyl)pentanamide has a molecular weight of 251.21 g/mol, XLogP of 1.53, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(1,2-oxazol-4-yl)-3-(trifluoromethyl)pentanamide is sourced from PubChem (CID 112737872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).