3,3,3-trifluoro-N-[[3-(2-oxo-1H-pyridin-3-yl)-1,2,4-oxadiazol-5-yl]methyl]propanamide

C11H9F3N4O3 — CID 136962337

IUPAC3,3,3-trifluoro-N-[[3-(2-oxo-1H-pyridin-3-yl)-1,2,4-oxadiazol-5-yl]methyl]propanamide
SMILESO=C(CC(F)(F)F)NCc1nc(-c2ccc[nH]c2=O)no1
InChIInChI=1S/C11H9F3N4O3/c12-11(13,14)4-7(19)16-5-8-17-9(18-21-8)6-2-1-3-15-10(6)20/h1-3H,4-5H2,(H,15,20)(H,16,19)
InChIKeyMNSOMEMRZFUCSI-UHFFFAOYSA-N
MW302.21 g/mol
LogP0.99
Rot. Bonds4

About 3,3,3-trifluoro-N-[[3-(2-oxo-1H-pyridin-3-yl)-1,2,4-oxadiazol-5-yl]methyl]propanamide

3,3,3-trifluoro-N-[[3-(2-oxo-1H-pyridin-3-yl)-1,2,4-oxadiazol-5-yl]methyl]propanamide (PubChem CID 136962337) has the molecular formula C11H9F3N4O3 and a molecular weight of 302.21 g/mol. Its IUPAC name is 3,3,3-trifluoro-N-[[3-(2-oxo-1H-pyridin-3-yl)-1,2,4-oxadiazol-5-yl]methyl]propanamide.

Molecular Properties

Compound Name3,3,3-trifluoro-N-[[3-(2-oxo-1H-pyridin-3-yl)-1,2,4-oxadiazol-5-yl]methyl]propanamide
PubChem CID136962337
Molecular FormulaC11H9F3N4O3
Molecular Weight302.21 g/mol
Exact Mass302.06
IUPAC Name3,3,3-trifluoro-N-[[3-(2-oxo-1H-pyridin-3-yl)-1,2,4-oxadiazol-5-yl]methyl]propanamide
SMILESO=C(CC(F)(F)F)NCc1nc(-c2ccc[nH]c2=O)no1
InChIInChI=1S/C11H9F3N4O3/c12-11(13,14)4-7(19)16-5-8-17-9(18-21-8)6-2-1-3-15-10(6)20/h1-3H,4-5H2,(H,15,20)(H,16,19)
InChIKeyMNSOMEMRZFUCSI-UHFFFAOYSA-N
XLogP0.99
TPSA100.88 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.21
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-N-[[3-(2-oxo-1H-pyridin-3-yl)-1,2,4-oxadiazol-5-yl]methyl]propanamide?
The IUPAC name of 3,3,3-trifluoro-N-[[3-(2-oxo-1H-pyridin-3-yl)-1,2,4-oxadiazol-5-yl]methyl]propanamide (CID 136962337) is 3,3,3-trifluoro-N-[[3-(2-oxo-1H-pyridin-3-yl)-1,2,4-oxadiazol-5-yl]methyl]propanamide.
What is the SMILES notation for 3,3,3-trifluoro-N-[[3-(2-oxo-1H-pyridin-3-yl)-1,2,4-oxadiazol-5-yl]methyl]propanamide?
The canonical SMILES for 3,3,3-trifluoro-N-[[3-(2-oxo-1H-pyridin-3-yl)-1,2,4-oxadiazol-5-yl]methyl]propanamide is O=C(CC(F)(F)F)NCc1nc(-c2ccc[nH]c2=O)no1.
What is the InChIKey of 3,3,3-trifluoro-N-[[3-(2-oxo-1H-pyridin-3-yl)-1,2,4-oxadiazol-5-yl]methyl]propanamide?
The InChIKey is MNSOMEMRZFUCSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F3N4O3/c12-11(13,14)4-7(19)16-5-8-17-9(18-21-8)6-2-1-3-15-10(6)20/h1-3H,4-5H2,(H,15,20)(H,16,19).
What are the key properties of 3,3,3-trifluoro-N-[[3-(2-oxo-1H-pyridin-3-yl)-1,2,4-oxadiazol-5-yl]methyl]propanamide?
3,3,3-trifluoro-N-[[3-(2-oxo-1H-pyridin-3-yl)-1,2,4-oxadiazol-5-yl]methyl]propanamide has a molecular weight of 302.21 g/mol, XLogP of 0.99, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-N-[[3-(2-oxo-1H-pyridin-3-yl)-1,2,4-oxadiazol-5-yl]methyl]propanamide is sourced from PubChem (CID 136962337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).