1,2-oxazol-5-yl-[4-[[6-(trifluoromethyl)pyrimidin-4-yl]amino]piperidin-1-yl]methanone

C14H14F3N5O2 — CID 126889597

IUPAC1,2-oxazol-5-yl-[4-[[6-(trifluoromethyl)pyrimidin-4-yl]amino]piperidin-1-yl]methanone
SMILESO=C(c1ccno1)N1CCC(Nc2cc(C(F)(F)F)ncn2)CC1
InChIInChI=1S/C14H14F3N5O2/c15-14(16,17)11-7-12(19-8-18-11)21-9-2-5-22(6-3-9)13(23)10-1-4-20-24-10/h1,4,7-9H,2-3,5-6H2,(H,18,19,21)
InChIKeyHBAMAFUNTCUEMZ-UHFFFAOYSA-N
MW341.29 g/mol
LogP2.20
Rot. Bonds3

About 1,2-oxazol-5-yl-[4-[[6-(trifluoromethyl)pyrimidin-4-yl]amino]piperidin-1-yl]methanone

1,2-oxazol-5-yl-[4-[[6-(trifluoromethyl)pyrimidin-4-yl]amino]piperidin-1-yl]methanone (PubChem CID 126889597) has the molecular formula C14H14F3N5O2 and a molecular weight of 341.29 g/mol. Its IUPAC name is 1,2-oxazol-5-yl-[4-[[6-(trifluoromethyl)pyrimidin-4-yl]amino]piperidin-1-yl]methanone.

Molecular Properties

Compound Name1,2-oxazol-5-yl-[4-[[6-(trifluoromethyl)pyrimidin-4-yl]amino]piperidin-1-yl]methanone
PubChem CID126889597
Molecular FormulaC14H14F3N5O2
Molecular Weight341.29 g/mol
Exact Mass341.11
IUPAC Name1,2-oxazol-5-yl-[4-[[6-(trifluoromethyl)pyrimidin-4-yl]amino]piperidin-1-yl]methanone
SMILESO=C(c1ccno1)N1CCC(Nc2cc(C(F)(F)F)ncn2)CC1
InChIInChI=1S/C14H14F3N5O2/c15-14(16,17)11-7-12(19-8-18-11)21-9-2-5-22(6-3-9)13(23)10-1-4-20-24-10/h1,4,7-9H,2-3,5-6H2,(H,18,19,21)
InChIKeyHBAMAFUNTCUEMZ-UHFFFAOYSA-N
XLogP2.20
TPSA84.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.29
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1,2-oxazol-5-yl-[4-[[6-(trifluoromethyl)pyrimidin-4-yl]amino]piperidin-1-yl]methanone?
The IUPAC name of 1,2-oxazol-5-yl-[4-[[6-(trifluoromethyl)pyrimidin-4-yl]amino]piperidin-1-yl]methanone (CID 126889597) is 1,2-oxazol-5-yl-[4-[[6-(trifluoromethyl)pyrimidin-4-yl]amino]piperidin-1-yl]methanone.
What is the SMILES notation for 1,2-oxazol-5-yl-[4-[[6-(trifluoromethyl)pyrimidin-4-yl]amino]piperidin-1-yl]methanone?
The canonical SMILES for 1,2-oxazol-5-yl-[4-[[6-(trifluoromethyl)pyrimidin-4-yl]amino]piperidin-1-yl]methanone is O=C(c1ccno1)N1CCC(Nc2cc(C(F)(F)F)ncn2)CC1.
What is the InChIKey of 1,2-oxazol-5-yl-[4-[[6-(trifluoromethyl)pyrimidin-4-yl]amino]piperidin-1-yl]methanone?
The InChIKey is HBAMAFUNTCUEMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3N5O2/c15-14(16,17)11-7-12(19-8-18-11)21-9-2-5-22(6-3-9)13(23)10-1-4-20-24-10/h1,4,7-9H,2-3,5-6H2,(H,18,19,21).
What are the key properties of 1,2-oxazol-5-yl-[4-[[6-(trifluoromethyl)pyrimidin-4-yl]amino]piperidin-1-yl]methanone?
1,2-oxazol-5-yl-[4-[[6-(trifluoromethyl)pyrimidin-4-yl]amino]piperidin-1-yl]methanone has a molecular weight of 341.29 g/mol, XLogP of 2.20, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-oxazol-5-yl-[4-[[6-(trifluoromethyl)pyrimidin-4-yl]amino]piperidin-1-yl]methanone is sourced from PubChem (CID 126889597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).