3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[3-[methyl-[3-(trifluoromethyl)-2-pyridinyl]amino]piperidin-1-yl]propan-1-one

C20H25F3N4O2 — CID 154831265

IUPAC3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[3-[methyl-[3-(trifluoromethyl)-2-pyridinyl]amino]piperidin-1-yl]propan-1-one
SMILESCc1noc(C)c1CCC(=O)N1CCCC(N(C)c2ncccc2C(F)(F)F)C1
InChIInChI=1S/C20H25F3N4O2/c1-13-16(14(2)29-25-13)8-9-18(28)27-11-5-6-15(12-27)26(3)19-17(20(21,22)23)7-4-10-24-19/h4,7,10,15H,5-6,8-9,11-12H2,1-3H3
InChIKeyMYGODLSGOJNDDR-UHFFFAOYSA-N
MW410.44 g/mol
LogP3.77
Rot. Bonds5

About 3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[3-[methyl-[3-(trifluoromethyl)-2-pyridinyl]amino]piperidin-1-yl]propan-1-one

3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[3-[methyl-[3-(trifluoromethyl)-2-pyridinyl]amino]piperidin-1-yl]propan-1-one (PubChem CID 154831265) has the molecular formula C20H25F3N4O2 and a molecular weight of 410.44 g/mol. Its IUPAC name is 3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[3-[methyl-[3-(trifluoromethyl)-2-pyridinyl]amino]piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[3-[methyl-[3-(trifluoromethyl)-2-pyridinyl]amino]piperidin-1-yl]propan-1-one
PubChem CID154831265
Molecular FormulaC20H25F3N4O2
Molecular Weight410.44 g/mol
Exact Mass410.19
IUPAC Name3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[3-[methyl-[3-(trifluoromethyl)-2-pyridinyl]amino]piperidin-1-yl]propan-1-one
SMILESCc1noc(C)c1CCC(=O)N1CCCC(N(C)c2ncccc2C(F)(F)F)C1
InChIInChI=1S/C20H25F3N4O2/c1-13-16(14(2)29-25-13)8-9-18(28)27-11-5-6-15(12-27)26(3)19-17(20(21,22)23)7-4-10-24-19/h4,7,10,15H,5-6,8-9,11-12H2,1-3H3
InChIKeyMYGODLSGOJNDDR-UHFFFAOYSA-N
XLogP3.77
TPSA62.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.44
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Launch Full Analysis

Related Compounds

2-[2-[3-[methyl-[3-(trifluoromethyl)-2-pyridinyl]amino]piperidin-1-yl]-2-oxoethyl]pyridazin-3-one
CID 154831210
3-[methyl-[3-(trifluoromethyl)-2-pyridinyl]amino]-N-phenylpiperidine-1-carboxamide
CID 154884095
[3-[methyl-[3-(trifluoromethyl)-2-pyridinyl]amino]piperidin-1-yl]-(1,3-thiazol-4-yl)methanone
CID 154883988
3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(3-methylpiperidin-1-yl)propan-1-one
CID 78791717
3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(3R)-3-pyrimidin-4-ylpiperidin-1-yl]propan-1-one
CID 125013242
3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one
CID 95845538
3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(3S)-3-(2-methylpyrimidin-4-yl)piperidin-1-yl]propan-1-one
CID 124982287
1-[(3S)-3-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]piperidin-1-yl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)propan-1-one
CID 42384211
3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(3S)-3-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]propan-1-one
CID 97104476
1-methyl-3-[3-[methyl-[3-(trifluoromethyl)-2-pyridinyl]amino]piperidine-1-carbonyl]pyridin-2-one
CID 154883990
3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(3R)-3-(2-methylimidazol-1-yl)piperidin-1-yl]propan-1-one
CID 95349356
3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[3-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]piperidin-1-yl]propan-1-one
CID 121069121

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[3-[methyl-[3-(trifluoromethyl)-2-pyridinyl]amino]piperidin-1-yl]propan-1-one?
The IUPAC name of 3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[3-[methyl-[3-(trifluoromethyl)-2-pyridinyl]amino]piperidin-1-yl]propan-1-one (CID 154831265) is 3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[3-[methyl-[3-(trifluoromethyl)-2-pyridinyl]amino]piperidin-1-yl]propan-1-one.
What is the SMILES notation for 3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[3-[methyl-[3-(trifluoromethyl)-2-pyridinyl]amino]piperidin-1-yl]propan-1-one?
The canonical SMILES for 3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[3-[methyl-[3-(trifluoromethyl)-2-pyridinyl]amino]piperidin-1-yl]propan-1-one is Cc1noc(C)c1CCC(=O)N1CCCC(N(C)c2ncccc2C(F)(F)F)C1.
What is the InChIKey of 3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[3-[methyl-[3-(trifluoromethyl)-2-pyridinyl]amino]piperidin-1-yl]propan-1-one?
The InChIKey is MYGODLSGOJNDDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25F3N4O2/c1-13-16(14(2)29-25-13)8-9-18(28)27-11-5-6-15(12-27)26(3)19-17(20(21,22)23)7-4-10-24-19/h4,7,10,15H,5-6,8-9,11-12H2,1-3H3.
What are the key properties of 3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[3-[methyl-[3-(trifluoromethyl)-2-pyridinyl]amino]piperidin-1-yl]propan-1-one?
3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[3-[methyl-[3-(trifluoromethyl)-2-pyridinyl]amino]piperidin-1-yl]propan-1-one has a molecular weight of 410.44 g/mol, XLogP of 3.77, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[3-[methyl-[3-(trifluoromethyl)-2-pyridinyl]amino]piperidin-1-yl]propan-1-one is sourced from PubChem (CID 154831265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).