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

C15H16F3N5O2 — CID 91817778

IUPAC5-methyl-N-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]-1,2-oxazole-3-carboxamide
SMILESCc1cc(C(=O)NC2CCN(c3cc(C(F)(F)F)ncn3)CC2)no1
InChIInChI=1S/C15H16F3N5O2/c1-9-6-11(22-25-9)14(24)21-10-2-4-23(5-3-10)13-7-12(15(16,17)18)19-8-20-13/h6-8,10H,2-5H2,1H3,(H,21,24)
InChIKeyKYYXOALATTZTHV-UHFFFAOYSA-N
MW355.32 g/mol
LogP2.19
Rot. Bonds3

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

5-methyl-N-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]-1,2-oxazole-3-carboxamide (PubChem CID 91817778) has the molecular formula C15H16F3N5O2 and a molecular weight of 355.32 g/mol. Its IUPAC name is 5-methyl-N-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]-1,2-oxazole-3-carboxamide
PubChem CID91817778
Molecular FormulaC15H16F3N5O2
Molecular Weight355.32 g/mol
Exact Mass355.13
IUPAC Name5-methyl-N-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]-1,2-oxazole-3-carboxamide
SMILESCc1cc(C(=O)NC2CCN(c3cc(C(F)(F)F)ncn3)CC2)no1
InChIInChI=1S/C15H16F3N5O2/c1-9-6-11(22-25-9)14(24)21-10-2-4-23(5-3-10)13-7-12(15(16,17)18)19-8-20-13/h6-8,10H,2-5H2,1H3,(H,21,24)
InChIKeyKYYXOALATTZTHV-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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Related Compounds

5-methyl-N-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]-1,2-oxazole-3-carboxamide
CID 47075099
5-cyclopropyl-N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]-1,2-oxazole-3-carboxamide
CID 91817801
5-chloro-2-methoxy-N-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]benzamide
CID 91809991
5-methyl-1-phenyl-N-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]pyrazole-4-carboxamide
CID 121019478
N-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]-1H-indole-2-carboxamide
CID 91631398
5-methyl-N-[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]-1,2-oxazole-3-carboxamide
CID 57382847
5-methyl-N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]pyrazine-2-carboxamide
CID 91631451
N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-5-methyl-1,2-oxazole-3-carboxamide
CID 47028354
2-[[4-[(5-methyl-1,2-oxazole-3-carbonyl)amino]piperidin-1-yl]methyl]prop-2-enoic acid;2,2,2-trifluoroacetic acid
CID 166356591
5-methyl-N-[1-[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]piperidin-4-yl]-1,2-oxazole-3-carboxamide
CID 47075296
5-methyl-N-(4-methylcyclohexyl)-1,2-oxazole-3-carboxamide
CID 17173829
N-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 136512439

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-methyl-N-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]-1,2-oxazole-3-carboxamide (CID 91817778) is 5-methyl-N-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-methyl-N-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-methyl-N-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]-1,2-oxazole-3-carboxamide is Cc1cc(C(=O)NC2CCN(c3cc(C(F)(F)F)ncn3)CC2)no1.
What is the InChIKey of 5-methyl-N-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]-1,2-oxazole-3-carboxamide?
The InChIKey is KYYXOALATTZTHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F3N5O2/c1-9-6-11(22-25-9)14(24)21-10-2-4-23(5-3-10)13-7-12(15(16,17)18)19-8-20-13/h6-8,10H,2-5H2,1H3,(H,21,24).
What are the key properties of 5-methyl-N-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]-1,2-oxazole-3-carboxamide?
5-methyl-N-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]-1,2-oxazole-3-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 5-methyl-N-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 91817778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).