3-methyl-N-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]-1,2-oxazole-5-carboxamide

C15H16F3N5O2 — CID 47089197

IUPAC3-methyl-N-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]-1,2-oxazole-5-carboxamide
SMILESCc1cc(C(=O)NC2CCN(c3nccc(C(F)(F)F)n3)CC2)on1
InChIInChI=1S/C15H16F3N5O2/c1-9-8-11(25-22-9)13(24)20-10-3-6-23(7-4-10)14-19-5-2-12(21-14)15(16,17)18/h2,5,8,10H,3-4,6-7H2,1H3,(H,20,24)
InChIKeyMTUSRDBPMANIQG-UHFFFAOYSA-N
MW355.32 g/mol
LogP2.19
Rot. Bonds3

About 3-methyl-N-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]-1,2-oxazole-5-carboxamide

3-methyl-N-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]-1,2-oxazole-5-carboxamide (PubChem CID 47089197) has the molecular formula C15H16F3N5O2 and a molecular weight of 355.32 g/mol. Its IUPAC name is 3-methyl-N-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name3-methyl-N-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]-1,2-oxazole-5-carboxamide
PubChem CID47089197
Molecular FormulaC15H16F3N5O2
Molecular Weight355.32 g/mol
Exact Mass355.13
IUPAC Name3-methyl-N-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]-1,2-oxazole-5-carboxamide
SMILESCc1cc(C(=O)NC2CCN(c3nccc(C(F)(F)F)n3)CC2)on1
InChIInChI=1S/C15H16F3N5O2/c1-9-8-11(25-22-9)13(24)20-10-3-6-23(7-4-10)14-19-5-2-12(21-14)15(16,17)18/h2,5,8,10H,3-4,6-7H2,1H3,(H,20,24)
InChIKeyMTUSRDBPMANIQG-UHFFFAOYSA-N
XLogP2.19
TPSA84.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.32
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]-1,2-oxazole-5-carboxamide?
The IUPAC name of 3-methyl-N-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]-1,2-oxazole-5-carboxamide (CID 47089197) is 3-methyl-N-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]-1,2-oxazole-5-carboxamide.
What is the SMILES notation for 3-methyl-N-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]-1,2-oxazole-5-carboxamide?
The canonical SMILES for 3-methyl-N-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]-1,2-oxazole-5-carboxamide is Cc1cc(C(=O)NC2CCN(c3nccc(C(F)(F)F)n3)CC2)on1.
What is the InChIKey of 3-methyl-N-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]-1,2-oxazole-5-carboxamide?
The InChIKey is MTUSRDBPMANIQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F3N5O2/c1-9-8-11(25-22-9)13(24)20-10-3-6-23(7-4-10)14-19-5-2-12(21-14)15(16,17)18/h2,5,8,10H,3-4,6-7H2,1H3,(H,20,24).
What are the key properties of 3-methyl-N-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]-1,2-oxazole-5-carboxamide?
3-methyl-N-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]-1,2-oxazole-5-carboxamide has a molecular weight of 355.32 g/mol, XLogP of 2.19, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 47089197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).