3,3,3-trifluoro-N-[5-methyl-4-(4-methyl-1,3-oxazol-2-yl)-2-pyridinyl]propanamide

C13H12F3N3O2 — CID 176940157

IUPAC3,3,3-trifluoro-N-[5-methyl-4-(4-methyl-1,3-oxazol-2-yl)-2-pyridinyl]propanamide
SMILESCc1coc(-c2cc(NC(=O)CC(F)(F)F)ncc2C)n1
InChIInChI=1S/C13H12F3N3O2/c1-7-5-17-10(19-11(20)4-13(14,15)16)3-9(7)12-18-8(2)6-21-12/h3,5-6H,4H2,1-2H3,(H,17,19,20)
InChIKeyABIKYKVOOLRZLC-UHFFFAOYSA-N
MW299.25 g/mol
LogP3.24
Rot. Bonds3

About 3,3,3-trifluoro-N-[5-methyl-4-(4-methyl-1,3-oxazol-2-yl)-2-pyridinyl]propanamide

3,3,3-trifluoro-N-[5-methyl-4-(4-methyl-1,3-oxazol-2-yl)-2-pyridinyl]propanamide (PubChem CID 176940157) has the molecular formula C13H12F3N3O2 and a molecular weight of 299.25 g/mol. Its IUPAC name is 3,3,3-trifluoro-N-[5-methyl-4-(4-methyl-1,3-oxazol-2-yl)-2-pyridinyl]propanamide.

Molecular Properties

Compound Name3,3,3-trifluoro-N-[5-methyl-4-(4-methyl-1,3-oxazol-2-yl)-2-pyridinyl]propanamide
PubChem CID176940157
Molecular FormulaC13H12F3N3O2
Molecular Weight299.25 g/mol
Exact Mass299.09
IUPAC Name3,3,3-trifluoro-N-[5-methyl-4-(4-methyl-1,3-oxazol-2-yl)-2-pyridinyl]propanamide
SMILESCc1coc(-c2cc(NC(=O)CC(F)(F)F)ncc2C)n1
InChIInChI=1S/C13H12F3N3O2/c1-7-5-17-10(19-11(20)4-13(14,15)16)3-9(7)12-18-8(2)6-21-12/h3,5-6H,4H2,1-2H3,(H,17,19,20)
InChIKeyABIKYKVOOLRZLC-UHFFFAOYSA-N
XLogP3.24
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.25
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-N-[5-methyl-4-(4-methyl-1,3-oxazol-2-yl)-2-pyridinyl]propanamide?
The IUPAC name of 3,3,3-trifluoro-N-[5-methyl-4-(4-methyl-1,3-oxazol-2-yl)-2-pyridinyl]propanamide (CID 176940157) is 3,3,3-trifluoro-N-[5-methyl-4-(4-methyl-1,3-oxazol-2-yl)-2-pyridinyl]propanamide.
What is the SMILES notation for 3,3,3-trifluoro-N-[5-methyl-4-(4-methyl-1,3-oxazol-2-yl)-2-pyridinyl]propanamide?
The canonical SMILES for 3,3,3-trifluoro-N-[5-methyl-4-(4-methyl-1,3-oxazol-2-yl)-2-pyridinyl]propanamide is Cc1coc(-c2cc(NC(=O)CC(F)(F)F)ncc2C)n1.
What is the InChIKey of 3,3,3-trifluoro-N-[5-methyl-4-(4-methyl-1,3-oxazol-2-yl)-2-pyridinyl]propanamide?
The InChIKey is ABIKYKVOOLRZLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F3N3O2/c1-7-5-17-10(19-11(20)4-13(14,15)16)3-9(7)12-18-8(2)6-21-12/h3,5-6H,4H2,1-2H3,(H,17,19,20).
What are the key properties of 3,3,3-trifluoro-N-[5-methyl-4-(4-methyl-1,3-oxazol-2-yl)-2-pyridinyl]propanamide?
3,3,3-trifluoro-N-[5-methyl-4-(4-methyl-1,3-oxazol-2-yl)-2-pyridinyl]propanamide has a molecular weight of 299.25 g/mol, XLogP of 3.24, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-N-[5-methyl-4-(4-methyl-1,3-oxazol-2-yl)-2-pyridinyl]propanamide is sourced from PubChem (CID 176940157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).