2-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methyl-N-[1-methyl-6-(trifluoromethyl)piperidin-3-yl]propanamide

C16H24F3N3O2 — CID 128985921

IUPAC2-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methyl-N-[1-methyl-6-(trifluoromethyl)piperidin-3-yl]propanamide
SMILESCc1noc(C)c1C(C)(C)C(=O)NC1CCC(C(F)(F)F)N(C)C1
InChIInChI=1S/C16H24F3N3O2/c1-9-13(10(2)24-21-9)15(3,4)14(23)20-11-6-7-12(16(17,18)19)22(5)8-11/h11-12H,6-8H2,1-5H3,(H,20,23)
InChIKeyMYMJSDMOBXEJIC-UHFFFAOYSA-N
MW347.38 g/mol
LogP2.71
Rot. Bonds3

About 2-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methyl-N-[1-methyl-6-(trifluoromethyl)piperidin-3-yl]propanamide

2-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methyl-N-[1-methyl-6-(trifluoromethyl)piperidin-3-yl]propanamide (PubChem CID 128985921) has the molecular formula C16H24F3N3O2 and a molecular weight of 347.38 g/mol. Its IUPAC name is 2-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methyl-N-[1-methyl-6-(trifluoromethyl)piperidin-3-yl]propanamide.

Molecular Properties

Compound Name2-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methyl-N-[1-methyl-6-(trifluoromethyl)piperidin-3-yl]propanamide
PubChem CID128985921
Molecular FormulaC16H24F3N3O2
Molecular Weight347.38 g/mol
Exact Mass347.18
IUPAC Name2-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methyl-N-[1-methyl-6-(trifluoromethyl)piperidin-3-yl]propanamide
SMILESCc1noc(C)c1C(C)(C)C(=O)NC1CCC(C(F)(F)F)N(C)C1
InChIInChI=1S/C16H24F3N3O2/c1-9-13(10(2)24-21-9)15(3,4)14(23)20-11-6-7-12(16(17,18)19)22(5)8-11/h11-12H,6-8H2,1-5H3,(H,20,23)
InChIKeyMYMJSDMOBXEJIC-UHFFFAOYSA-N
XLogP2.71
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.38
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S,4S)-1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylpropanoyl]-4-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 120963571
N-[(3S,6S)-1-(3-methyl-1,2-oxazole-5-carbonyl)-6-(trifluoromethyl)piperidin-3-yl]acetamide
CID 129491835
2,2,2-trifluoro-N-[(3R,6S)-1-(3-methyl-1,2-thiazole-4-carbonyl)-6-(trifluoromethyl)piperidin-3-yl]acetamide
CID 167899172
N-[(3R,6S)-1-[2-(5-methyl-1,2-oxazol-3-yl)acetyl]-6-(trifluoromethyl)piperidin-3-yl]acetamide
CID 129345739
N-[1-(2-chloropropanoyl)-6-(trifluoromethyl)piperidin-3-yl]-2,2,2-trifluoroacetamide
CID 146102052
N-[(3S,6S)-1-(2,4-dimethyl-1,3-oxazole-5-carbonyl)-6-(trifluoromethyl)piperidin-3-yl]acetamide
CID 129491804
4-(1,1-difluoroethyl)-3,5-dimethyl-1,2-oxazole;ethane
CID 170592665
N-[(3R,6S)-1-(5-methyl-1,3-oxazole-4-carbonyl)-6-(trifluoromethyl)piperidin-3-yl]acetamide
CID 129491793
N-(4-hydroxycyclohexyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 43389638
2-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methyl-N-[(2R)-4-phenylbutan-2-yl]propanamide
CID 100647997
1-cyclopropyl-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]urea
CID 47850579
N-cyclopropyl-2-methyl-2-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]propanamide
CID 146268616

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methyl-N-[1-methyl-6-(trifluoromethyl)piperidin-3-yl]propanamide?
The IUPAC name of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methyl-N-[1-methyl-6-(trifluoromethyl)piperidin-3-yl]propanamide (CID 128985921) is 2-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methyl-N-[1-methyl-6-(trifluoromethyl)piperidin-3-yl]propanamide.
What is the SMILES notation for 2-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methyl-N-[1-methyl-6-(trifluoromethyl)piperidin-3-yl]propanamide?
The canonical SMILES for 2-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methyl-N-[1-methyl-6-(trifluoromethyl)piperidin-3-yl]propanamide is Cc1noc(C)c1C(C)(C)C(=O)NC1CCC(C(F)(F)F)N(C)C1.
What is the InChIKey of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methyl-N-[1-methyl-6-(trifluoromethyl)piperidin-3-yl]propanamide?
The InChIKey is MYMJSDMOBXEJIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24F3N3O2/c1-9-13(10(2)24-21-9)15(3,4)14(23)20-11-6-7-12(16(17,18)19)22(5)8-11/h11-12H,6-8H2,1-5H3,(H,20,23).
What are the key properties of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methyl-N-[1-methyl-6-(trifluoromethyl)piperidin-3-yl]propanamide?
2-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methyl-N-[1-methyl-6-(trifluoromethyl)piperidin-3-yl]propanamide has a molecular weight of 347.38 g/mol, XLogP of 2.71, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methyl-N-[1-methyl-6-(trifluoromethyl)piperidin-3-yl]propanamide is sourced from PubChem (CID 128985921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).