3-[[1-[(5-propan-2-yl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]methyl]-6-(trifluoromethyl)pyrimidin-4-one

C18H23F3N4O2 — CID 126943620

IUPAC3-[[1-[(5-propan-2-yl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]methyl]-6-(trifluoromethyl)pyrimidin-4-one
SMILESCC(C)c1ocnc1CN1CCC(Cn2cnc(C(F)(F)F)cc2=O)CC1
InChIInChI=1S/C18H23F3N4O2/c1-12(2)17-14(23-11-27-17)9-24-5-3-13(4-6-24)8-25-10-22-15(7-16(25)26)18(19,20)21/h7,10-13H,3-6,8-9H2,1-2H3
InChIKeyNITOYZRMPNESFA-UHFFFAOYSA-N
MW384.40 g/mol
LogP3.29
Rot. Bonds5

About 3-[[1-[(5-propan-2-yl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]methyl]-6-(trifluoromethyl)pyrimidin-4-one

3-[[1-[(5-propan-2-yl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]methyl]-6-(trifluoromethyl)pyrimidin-4-one (PubChem CID 126943620) has the molecular formula C18H23F3N4O2 and a molecular weight of 384.40 g/mol. Its IUPAC name is 3-[[1-[(5-propan-2-yl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]methyl]-6-(trifluoromethyl)pyrimidin-4-one.

Molecular Properties

Compound Name3-[[1-[(5-propan-2-yl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]methyl]-6-(trifluoromethyl)pyrimidin-4-one
PubChem CID126943620
Molecular FormulaC18H23F3N4O2
Molecular Weight384.40 g/mol
Exact Mass384.18
IUPAC Name3-[[1-[(5-propan-2-yl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]methyl]-6-(trifluoromethyl)pyrimidin-4-one
SMILESCC(C)c1ocnc1CN1CCC(Cn2cnc(C(F)(F)F)cc2=O)CC1
InChIInChI=1S/C18H23F3N4O2/c1-12(2)17-14(23-11-27-17)9-24-5-3-13(4-6-24)8-25-10-22-15(7-16(25)26)18(19,20)21/h7,10-13H,3-6,8-9H2,1-2H3
InChIKeyNITOYZRMPNESFA-UHFFFAOYSA-N
XLogP3.29
TPSA64.16 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.40
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[[1-[(5-propan-2-yl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]methyl]-6-(trifluoromethyl)pyrimidin-4-one?
The IUPAC name of 3-[[1-[(5-propan-2-yl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]methyl]-6-(trifluoromethyl)pyrimidin-4-one (CID 126943620) is 3-[[1-[(5-propan-2-yl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]methyl]-6-(trifluoromethyl)pyrimidin-4-one.
What is the SMILES notation for 3-[[1-[(5-propan-2-yl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]methyl]-6-(trifluoromethyl)pyrimidin-4-one?
The canonical SMILES for 3-[[1-[(5-propan-2-yl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]methyl]-6-(trifluoromethyl)pyrimidin-4-one is CC(C)c1ocnc1CN1CCC(Cn2cnc(C(F)(F)F)cc2=O)CC1.
What is the InChIKey of 3-[[1-[(5-propan-2-yl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]methyl]-6-(trifluoromethyl)pyrimidin-4-one?
The InChIKey is NITOYZRMPNESFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23F3N4O2/c1-12(2)17-14(23-11-27-17)9-24-5-3-13(4-6-24)8-25-10-22-15(7-16(25)26)18(19,20)21/h7,10-13H,3-6,8-9H2,1-2H3.
What are the key properties of 3-[[1-[(5-propan-2-yl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]methyl]-6-(trifluoromethyl)pyrimidin-4-one?
3-[[1-[(5-propan-2-yl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]methyl]-6-(trifluoromethyl)pyrimidin-4-one has a molecular weight of 384.40 g/mol, XLogP of 3.29, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-[(5-propan-2-yl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]methyl]-6-(trifluoromethyl)pyrimidin-4-one is sourced from PubChem (CID 126943620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).