2-[1-(pyrimidin-2-ylmethyl)piperidin-2-yl]-5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazole

C14H16F3N5O — CID 128991937

IUPAC2-[1-(pyrimidin-2-ylmethyl)piperidin-2-yl]-5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazole
SMILESFC(F)(F)Cc1nnc(C2CCCCN2Cc2ncccn2)o1
InChIInChI=1S/C14H16F3N5O/c15-14(16,17)8-12-20-21-13(23-12)10-4-1-2-7-22(10)9-11-18-5-3-6-19-11/h3,5-6,10H,1-2,4,7-9H2
InChIKeyPQUDURWEFHKENL-UHFFFAOYSA-N
MW327.31 g/mol
LogP2.69
Rot. Bonds4

About 2-[1-(pyrimidin-2-ylmethyl)piperidin-2-yl]-5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazole

2-[1-(pyrimidin-2-ylmethyl)piperidin-2-yl]-5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazole (PubChem CID 128991937) has the molecular formula C14H16F3N5O and a molecular weight of 327.31 g/mol. Its IUPAC name is 2-[1-(pyrimidin-2-ylmethyl)piperidin-2-yl]-5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[1-(pyrimidin-2-ylmethyl)piperidin-2-yl]-5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazole
PubChem CID128991937
Molecular FormulaC14H16F3N5O
Molecular Weight327.31 g/mol
Exact Mass327.13
IUPAC Name2-[1-(pyrimidin-2-ylmethyl)piperidin-2-yl]-5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazole
SMILESFC(F)(F)Cc1nnc(C2CCCCN2Cc2ncccn2)o1
InChIInChI=1S/C14H16F3N5O/c15-14(16,17)8-12-20-21-13(23-12)10-4-1-2-7-22(10)9-11-18-5-3-6-19-11/h3,5-6,10H,1-2,4,7-9H2
InChIKeyPQUDURWEFHKENL-UHFFFAOYSA-N
XLogP2.69
TPSA67.94 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.31
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[1-(pyrimidin-2-ylmethyl)piperidin-2-yl]-5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazole with MolForge

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Related Compounds

1-[2-[(2S)-2-[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]ethyl]pyrrolidin-2-one
CID 129350670
1-[(2S)-2-[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]ethanone
CID 100657882
thiadiazol-4-yl-[(2R)-2-[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone
CID 129345359
2-[1-(pyrimidin-2-ylmethyl)pyrrolidin-2-yl]cyclohexan-1-ol
CID 114339630
2-(5-methylthiophen-2-yl)-5-[1-(pyridin-2-ylmethyl)pyrrolidin-2-yl]-1,3,4-oxadiazole
CID 110243137
2-[(2R)-1-[(2,3-difluorophenyl)methyl]piperidin-2-yl]-5-pyrazin-2-yl-1,3,4-oxadiazole
CID 125023353
5-[(2-pyridin-4-ylpyrrolidin-1-yl)methyl]-3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazole
CID 127712347
2-[1-[(2,3-dimethoxyphenyl)methyl]piperidin-2-yl]-5-pyridin-2-yl-1,3,4-oxadiazole
CID 110247156
6-[1-[[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidin-2-yl]pyridazin-3-amine
CID 154762799
2-[[(2R)-2-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methyl]benzonitrile
CID 129486880
2-propan-2-yl-5-[[2-(1,3-thiazol-2-yl)piperidin-1-yl]methyl]-1,3,4-oxadiazole
CID 91838515
1-[1-(pyrimidin-2-ylmethyl)piperidin-2-yl]propan-2-one
CID 79539105

Frequently Asked Questions

What is the IUPAC name of 2-[1-(pyrimidin-2-ylmethyl)piperidin-2-yl]-5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazole?
The IUPAC name of 2-[1-(pyrimidin-2-ylmethyl)piperidin-2-yl]-5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazole (CID 128991937) is 2-[1-(pyrimidin-2-ylmethyl)piperidin-2-yl]-5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-[1-(pyrimidin-2-ylmethyl)piperidin-2-yl]-5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-[1-(pyrimidin-2-ylmethyl)piperidin-2-yl]-5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazole is FC(F)(F)Cc1nnc(C2CCCCN2Cc2ncccn2)o1.
What is the InChIKey of 2-[1-(pyrimidin-2-ylmethyl)piperidin-2-yl]-5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazole?
The InChIKey is PQUDURWEFHKENL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3N5O/c15-14(16,17)8-12-20-21-13(23-12)10-4-1-2-7-22(10)9-11-18-5-3-6-19-11/h3,5-6,10H,1-2,4,7-9H2.
What are the key properties of 2-[1-(pyrimidin-2-ylmethyl)piperidin-2-yl]-5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazole?
2-[1-(pyrimidin-2-ylmethyl)piperidin-2-yl]-5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazole has a molecular weight of 327.31 g/mol, XLogP of 2.69, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(pyrimidin-2-ylmethyl)piperidin-2-yl]-5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazole is sourced from PubChem (CID 128991937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).