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

C18H22F3N5O2 — CID 91817810

IUPAC2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]acetamide
SMILESCc1nc(N2CCC(NC(=O)Cc3c(C)noc3C)CC2)cc(C(F)(F)F)n1
InChIInChI=1S/C18H22F3N5O2/c1-10-14(11(2)28-25-10)8-17(27)24-13-4-6-26(7-5-13)16-9-15(18(19,20)21)22-12(3)23-16/h9,13H,4-8H2,1-3H3,(H,24,27)
InChIKeyMIRJQCORXIYJKB-UHFFFAOYSA-N
MW397.40 g/mol
LogP2.74
Rot. Bonds4

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

2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]acetamide (PubChem CID 91817810) has the molecular formula C18H22F3N5O2 and a molecular weight of 397.40 g/mol. Its IUPAC name is 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]acetamide.

Molecular Properties

Compound Name2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]acetamide
PubChem CID91817810
Molecular FormulaC18H22F3N5O2
Molecular Weight397.40 g/mol
Exact Mass397.17
IUPAC Name2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]acetamide
SMILESCc1nc(N2CCC(NC(=O)Cc3c(C)noc3C)CC2)cc(C(F)(F)F)n1
InChIInChI=1S/C18H22F3N5O2/c1-10-14(11(2)28-25-10)8-17(27)24-13-4-6-26(7-5-13)16-9-15(18(19,20)21)22-12(3)23-16/h9,13H,4-8H2,1-3H3,(H,24,27)
InChIKeyMIRJQCORXIYJKB-UHFFFAOYSA-N
XLogP2.74
TPSA84.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.40
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]acetamide?
The IUPAC name of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]acetamide (CID 91817810) is 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]acetamide.
What is the SMILES notation for 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]acetamide?
The canonical SMILES for 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]acetamide is Cc1nc(N2CCC(NC(=O)Cc3c(C)noc3C)CC2)cc(C(F)(F)F)n1.
What is the InChIKey of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]acetamide?
The InChIKey is MIRJQCORXIYJKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22F3N5O2/c1-10-14(11(2)28-25-10)8-17(27)24-13-4-6-26(7-5-13)16-9-15(18(19,20)21)22-12(3)23-16/h9,13H,4-8H2,1-3H3,(H,24,27).
What are the key properties of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]acetamide?
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]acetamide has a molecular weight of 397.40 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]acetamide is sourced from PubChem (CID 91817810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).