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

C19H23F3N4O2 — CID 131945591

IUPAC2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[1-[3-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]methyl]acetamide
SMILESCc1noc(C)c1CC(=O)NCC1CCN(c2ncccc2C(F)(F)F)CC1
InChIInChI=1S/C19H23F3N4O2/c1-12-15(13(2)28-25-12)10-17(27)24-11-14-5-8-26(9-6-14)18-16(19(20,21)22)4-3-7-23-18/h3-4,7,14H,5-6,8-11H2,1-2H3,(H,24,27)
InChIKeyHOVNRRNOXXUBRM-UHFFFAOYSA-N
MW396.41 g/mol
LogP3.28
Rot. Bonds5

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

2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[1-[3-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]methyl]acetamide (PubChem CID 131945591) has the molecular formula C19H23F3N4O2 and a molecular weight of 396.41 g/mol. Its IUPAC name is 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[1-[3-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]methyl]acetamide.

Molecular Properties

Compound Name2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[1-[3-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]methyl]acetamide
PubChem CID131945591
Molecular FormulaC19H23F3N4O2
Molecular Weight396.41 g/mol
Exact Mass396.18
IUPAC Name2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[1-[3-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]methyl]acetamide
SMILESCc1noc(C)c1CC(=O)NCC1CCN(c2ncccc2C(F)(F)F)CC1
InChIInChI=1S/C19H23F3N4O2/c1-12-15(13(2)28-25-12)10-17(27)24-11-14-5-8-26(9-6-14)18-16(19(20,21)22)4-3-7-23-18/h3-4,7,14H,5-6,8-11H2,1-2H3,(H,24,27)
InChIKeyHOVNRRNOXXUBRM-UHFFFAOYSA-N
XLogP3.28
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.41
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]acetamide
CID 75462338
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[2-(3-hydroxypiperidin-1-yl)-3-pyridinyl]methyl]acetamide
CID 45232066
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[4-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)cyclohexyl]methyl]acetamide
CID 98065275
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[(4S)-2,3,4,5-tetrahydro-1-benzoxepin-4-yl]methyl]acetamide
CID 125163939
N-methyl-1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide
CID 47174519
(3R)-1-[3-(trifluoromethyl)-2-pyridinyl]pyrrolidine-3-carboxylic acid
CID 94918055
N,2,2-trimethyl-N-[[1-[3-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]methyl]propanamide
CID 171702181
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[(3S)-3-hydroxy-1-pyrimidin-2-ylpyrrolidin-3-yl]methyl]acetamide
CID 124963569
2-(4-chloropiperidin-1-yl)-3-(trifluoromethyl)pyridine
CID 63388486
N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-3-(trifluoromethyl)pyridin-2-amine
CID 133347534
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(2-hydroxycyclohexyl)methyl]acetamide
CID 64929090
[1-(3-bromo-2-pyridinyl)piperidin-4-yl]methylcarbamic acid
CID 67136498

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[1-[3-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]methyl]acetamide?
The IUPAC name of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[1-[3-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]methyl]acetamide (CID 131945591) is 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[1-[3-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]methyl]acetamide.
What is the SMILES notation for 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[1-[3-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]methyl]acetamide?
The canonical SMILES for 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[1-[3-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]methyl]acetamide is Cc1noc(C)c1CC(=O)NCC1CCN(c2ncccc2C(F)(F)F)CC1.
What is the InChIKey of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[1-[3-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]methyl]acetamide?
The InChIKey is HOVNRRNOXXUBRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23F3N4O2/c1-12-15(13(2)28-25-12)10-17(27)24-11-14-5-8-26(9-6-14)18-16(19(20,21)22)4-3-7-23-18/h3-4,7,14H,5-6,8-11H2,1-2H3,(H,24,27).
What are the key properties of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[1-[3-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]methyl]acetamide?
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[1-[3-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]methyl]acetamide has a molecular weight of 396.41 g/mol, XLogP of 3.28, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[1-[3-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]methyl]acetamide is sourced from PubChem (CID 131945591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).