3,5-dimethyl-N-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]-1,2-oxazole-4-carboxamide

C16H18F3N5O2 — CID 91817779

IUPAC3,5-dimethyl-N-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]-1,2-oxazole-4-carboxamide
SMILESCc1noc(C)c1C(=O)NC1CCN(c2cc(C(F)(F)F)ncn2)CC1
InChIInChI=1S/C16H18F3N5O2/c1-9-14(10(2)26-23-9)15(25)22-11-3-5-24(6-4-11)13-7-12(16(17,18)19)20-8-21-13/h7-8,11H,3-6H2,1-2H3,(H,22,25)
InChIKeySLJKPFSOERIOQH-UHFFFAOYSA-N
MW369.35 g/mol
LogP2.50
Rot. Bonds3

About 3,5-dimethyl-N-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]-1,2-oxazole-4-carboxamide

3,5-dimethyl-N-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]-1,2-oxazole-4-carboxamide (PubChem CID 91817779) has the molecular formula C16H18F3N5O2 and a molecular weight of 369.35 g/mol. Its IUPAC name is 3,5-dimethyl-N-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name3,5-dimethyl-N-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]-1,2-oxazole-4-carboxamide
PubChem CID91817779
Molecular FormulaC16H18F3N5O2
Molecular Weight369.35 g/mol
Exact Mass369.14
IUPAC Name3,5-dimethyl-N-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]-1,2-oxazole-4-carboxamide
SMILESCc1noc(C)c1C(=O)NC1CCN(c2cc(C(F)(F)F)ncn2)CC1
InChIInChI=1S/C16H18F3N5O2/c1-9-14(10(2)26-23-9)15(25)22-11-3-5-24(6-4-11)13-7-12(16(17,18)19)20-8-21-13/h7-8,11H,3-6H2,1-2H3,(H,22,25)
InChIKeySLJKPFSOERIOQH-UHFFFAOYSA-N
XLogP2.50
TPSA84.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.35
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]-1,2-oxazole-4-carboxamide?
The IUPAC name of 3,5-dimethyl-N-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]-1,2-oxazole-4-carboxamide (CID 91817779) is 3,5-dimethyl-N-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 3,5-dimethyl-N-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]-1,2-oxazole-4-carboxamide?
The canonical SMILES for 3,5-dimethyl-N-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]-1,2-oxazole-4-carboxamide is Cc1noc(C)c1C(=O)NC1CCN(c2cc(C(F)(F)F)ncn2)CC1.
What is the InChIKey of 3,5-dimethyl-N-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]-1,2-oxazole-4-carboxamide?
The InChIKey is SLJKPFSOERIOQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F3N5O2/c1-9-14(10(2)26-23-9)15(25)22-11-3-5-24(6-4-11)13-7-12(16(17,18)19)20-8-21-13/h7-8,11H,3-6H2,1-2H3,(H,22,25).
What are the key properties of 3,5-dimethyl-N-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]-1,2-oxazole-4-carboxamide?
3,5-dimethyl-N-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]-1,2-oxazole-4-carboxamide has a molecular weight of 369.35 g/mol, XLogP of 2.50, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 91817779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).