N-[1-(5-methyl-1,3-oxazole-4-carbonyl)-6-(trifluoromethyl)piperidin-3-yl]acetamide

C13H16F3N3O3 — CID 128989542

IUPACN-[1-(5-methyl-1,3-oxazole-4-carbonyl)-6-(trifluoromethyl)piperidin-3-yl]acetamide
SMILESCC(=O)NC1CCC(C(F)(F)F)N(C(=O)c2ncoc2C)C1
InChIInChI=1S/C13H16F3N3O3/c1-7-11(17-6-22-7)12(21)19-5-9(18-8(2)20)3-4-10(19)13(14,15)16/h6,9-10H,3-5H2,1-2H3,(H,18,20)
InChIKeyBKZWZESYVKRYGU-UHFFFAOYSA-N
MW319.28 g/mol
LogP1.65
Rot. Bonds2

About N-[1-(5-methyl-1,3-oxazole-4-carbonyl)-6-(trifluoromethyl)piperidin-3-yl]acetamide

N-[1-(5-methyl-1,3-oxazole-4-carbonyl)-6-(trifluoromethyl)piperidin-3-yl]acetamide (PubChem CID 128989542) has the molecular formula C13H16F3N3O3 and a molecular weight of 319.28 g/mol. Its IUPAC name is N-[1-(5-methyl-1,3-oxazole-4-carbonyl)-6-(trifluoromethyl)piperidin-3-yl]acetamide.

Molecular Properties

Compound NameN-[1-(5-methyl-1,3-oxazole-4-carbonyl)-6-(trifluoromethyl)piperidin-3-yl]acetamide
PubChem CID128989542
Molecular FormulaC13H16F3N3O3
Molecular Weight319.28 g/mol
Exact Mass319.11
IUPAC NameN-[1-(5-methyl-1,3-oxazole-4-carbonyl)-6-(trifluoromethyl)piperidin-3-yl]acetamide
SMILESCC(=O)NC1CCC(C(F)(F)F)N(C(=O)c2ncoc2C)C1
InChIInChI=1S/C13H16F3N3O3/c1-7-11(17-6-22-7)12(21)19-5-9(18-8(2)20)3-4-10(19)13(14,15)16/h6,9-10H,3-5H2,1-2H3,(H,18,20)
InChIKeyBKZWZESYVKRYGU-UHFFFAOYSA-N
XLogP1.65
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.28
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(3R,4S,5R)-3-(4,4-difluoropiperidin-1-yl)-4,5-dihydroxyazepan-1-yl]-(5-methyl-1,3-oxazol-4-yl)methanone
CID 118740324
N-cyclohexyl-2,5-dimethyl-1,3-oxazole-4-carboxamide
CID 53195128
"2,5-dimethyl-N-(2-morpholinoethyl)-1,3-oxazole-4-carboxamide"
CID 53195158
2,5-dimethyl-N-(1-methylpiperidin-4-yl)-1,3-oxazole-4-carboxamide
CID 53195162
2,5-dimethyl-N-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-oxazole-4-carboxamide
CID 53195189
N-{2-[cyclohexyl(methyl)amino]ethyl}-2,5-dimethyl-1,3-oxazole-4-carboxamide
CID 53195185
1-[(5-Methyl-1,3-oxazol-4-yl)carbonyl]-4-(1-pyrrolidinylcarbonyl)piperidine
CID 70758906
N-Cyclohexyl-N-[2-(dimethylamino)ethyl]-5-methyl-1,3-oxazole-4-carboxamide
CID 74234028
Methyl 2-[(5-methyl-1,3-oxazole-4-carbonyl)amino]pentanoate
CID 75441942
5-methyl-N-({1-[(4-methylpiperazin-1-yl)methyl]cyclopropyl}methyl)-1,3-oxazole-4-carboxamide
CID 118772730
5-methyl-N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]-1,3-oxazole-4-carboxamide
CID 122556326
5-methyl-N-(1,1,1-trifluoro-2-hydroxypentan-3-yl)-1,3-oxazole-4-carboxamide
CID 132344982

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-methyl-1,3-oxazole-4-carbonyl)-6-(trifluoromethyl)piperidin-3-yl]acetamide?
The IUPAC name of N-[1-(5-methyl-1,3-oxazole-4-carbonyl)-6-(trifluoromethyl)piperidin-3-yl]acetamide (CID 128989542) is N-[1-(5-methyl-1,3-oxazole-4-carbonyl)-6-(trifluoromethyl)piperidin-3-yl]acetamide.
What is the SMILES notation for N-[1-(5-methyl-1,3-oxazole-4-carbonyl)-6-(trifluoromethyl)piperidin-3-yl]acetamide?
The canonical SMILES for N-[1-(5-methyl-1,3-oxazole-4-carbonyl)-6-(trifluoromethyl)piperidin-3-yl]acetamide is CC(=O)NC1CCC(C(F)(F)F)N(C(=O)c2ncoc2C)C1.
What is the InChIKey of N-[1-(5-methyl-1,3-oxazole-4-carbonyl)-6-(trifluoromethyl)piperidin-3-yl]acetamide?
The InChIKey is BKZWZESYVKRYGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3N3O3/c1-7-11(17-6-22-7)12(21)19-5-9(18-8(2)20)3-4-10(19)13(14,15)16/h6,9-10H,3-5H2,1-2H3,(H,18,20).
What are the key properties of N-[1-(5-methyl-1,3-oxazole-4-carbonyl)-6-(trifluoromethyl)piperidin-3-yl]acetamide?
N-[1-(5-methyl-1,3-oxazole-4-carbonyl)-6-(trifluoromethyl)piperidin-3-yl]acetamide has a molecular weight of 319.28 g/mol, XLogP of 1.65, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-methyl-1,3-oxazole-4-carbonyl)-6-(trifluoromethyl)piperidin-3-yl]acetamide is sourced from PubChem (CID 128989542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).