N-[(3S,6R)-1-(2-propyl-1,3-oxazole-4-carbonyl)-6-(trifluoromethyl)piperidin-3-yl]acetamide

C15H20F3N3O3 — CID 129345687

IUPACN-[(3S,6R)-1-(2-propyl-1,3-oxazole-4-carbonyl)-6-(trifluoromethyl)piperidin-3-yl]acetamide
SMILESCCCc1nc(C(=O)N2C[C@@H](NC(C)=O)CC[C@@H]2C(F)(F)F)co1
InChIInChI=1S/C15H20F3N3O3/c1-3-4-13-20-11(8-24-13)14(23)21-7-10(19-9(2)22)5-6-12(21)15(16,17)18/h8,10,12H,3-7H2,1-2H3,(H,19,22)/t10-,12+/m0/s1
InChIKeyMJMHKPUPOWMYCB-CMPLNLGQSA-N
MW347.34 g/mol
LogP2.30
Rot. Bonds4

About N-[(3S,6R)-1-(2-propyl-1,3-oxazole-4-carbonyl)-6-(trifluoromethyl)piperidin-3-yl]acetamide

N-[(3S,6R)-1-(2-propyl-1,3-oxazole-4-carbonyl)-6-(trifluoromethyl)piperidin-3-yl]acetamide (PubChem CID 129345687) has the molecular formula C15H20F3N3O3 and a molecular weight of 347.34 g/mol. Its IUPAC name is N-[(3S,6R)-1-(2-propyl-1,3-oxazole-4-carbonyl)-6-(trifluoromethyl)piperidin-3-yl]acetamide.

Molecular Properties

Compound NameN-[(3S,6R)-1-(2-propyl-1,3-oxazole-4-carbonyl)-6-(trifluoromethyl)piperidin-3-yl]acetamide
PubChem CID129345687
Molecular FormulaC15H20F3N3O3
Molecular Weight347.34 g/mol
Exact Mass347.15
IUPAC NameN-[(3S,6R)-1-(2-propyl-1,3-oxazole-4-carbonyl)-6-(trifluoromethyl)piperidin-3-yl]acetamide
SMILESCCCc1nc(C(=O)N2C[C@@H](NC(C)=O)CC[C@@H]2C(F)(F)F)co1
InChIInChI=1S/C15H20F3N3O3/c1-3-4-13-20-11(8-24-13)14(23)21-7-10(19-9(2)22)5-6-12(21)15(16,17)18/h8,10,12H,3-7H2,1-2H3,(H,19,22)/t10-,12+/m0/s1
InChIKeyMJMHKPUPOWMYCB-CMPLNLGQSA-N
XLogP2.30
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.34
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(3S,6R)-1-(2-propyl-1,3-oxazole-4-carbonyl)-6-(trifluoromethyl)piperidin-3-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(3S,6R)-1-(2-propyl-1,3-oxazole-4-carbonyl)-6-(trifluoromethyl)piperidin-3-yl]acetamide?
The IUPAC name of N-[(3S,6R)-1-(2-propyl-1,3-oxazole-4-carbonyl)-6-(trifluoromethyl)piperidin-3-yl]acetamide (CID 129345687) is N-[(3S,6R)-1-(2-propyl-1,3-oxazole-4-carbonyl)-6-(trifluoromethyl)piperidin-3-yl]acetamide.
What is the SMILES notation for N-[(3S,6R)-1-(2-propyl-1,3-oxazole-4-carbonyl)-6-(trifluoromethyl)piperidin-3-yl]acetamide?
The canonical SMILES for N-[(3S,6R)-1-(2-propyl-1,3-oxazole-4-carbonyl)-6-(trifluoromethyl)piperidin-3-yl]acetamide is CCCc1nc(C(=O)N2C[C@@H](NC(C)=O)CC[C@@H]2C(F)(F)F)co1.
What is the InChIKey of N-[(3S,6R)-1-(2-propyl-1,3-oxazole-4-carbonyl)-6-(trifluoromethyl)piperidin-3-yl]acetamide?
The InChIKey is MJMHKPUPOWMYCB-CMPLNLGQSA-N. The full InChI is InChI=1S/C15H20F3N3O3/c1-3-4-13-20-11(8-24-13)14(23)21-7-10(19-9(2)22)5-6-12(21)15(16,17)18/h8,10,12H,3-7H2,1-2H3,(H,19,22)/t10-,12+/m0/s1.
What are the key properties of N-[(3S,6R)-1-(2-propyl-1,3-oxazole-4-carbonyl)-6-(trifluoromethyl)piperidin-3-yl]acetamide?
N-[(3S,6R)-1-(2-propyl-1,3-oxazole-4-carbonyl)-6-(trifluoromethyl)piperidin-3-yl]acetamide has a molecular weight of 347.34 g/mol, XLogP of 2.30, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,6R)-1-(2-propyl-1,3-oxazole-4-carbonyl)-6-(trifluoromethyl)piperidin-3-yl]acetamide is sourced from PubChem (CID 129345687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).