5-ethyl-3-[(3R)-1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-3-yl]-1,2,4-oxadiazole

C14H16F3N5O — CID 95766121

IUPAC5-ethyl-3-[(3R)-1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-3-yl]-1,2,4-oxadiazole
SMILESCCc1nc([C@@H]2CCCN(c3nccc(C(F)(F)F)n3)C2)no1
InChIInChI=1S/C14H16F3N5O/c1-2-11-20-12(21-23-11)9-4-3-7-22(8-9)13-18-6-5-10(19-13)14(15,16)17/h5-6,9H,2-4,7-8H2,1H3/t9-/m1/s1
InChIKeyRKCPYMCUWWKYDK-SECBINFHSA-N
MW327.31 g/mol
LogP2.82
Rot. Bonds3

About 5-ethyl-3-[(3R)-1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-3-yl]-1,2,4-oxadiazole

5-ethyl-3-[(3R)-1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-3-yl]-1,2,4-oxadiazole (PubChem CID 95766121) has the molecular formula C14H16F3N5O and a molecular weight of 327.31 g/mol. Its IUPAC name is 5-ethyl-3-[(3R)-1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-3-yl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-ethyl-3-[(3R)-1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-3-yl]-1,2,4-oxadiazole
PubChem CID95766121
Molecular FormulaC14H16F3N5O
Molecular Weight327.31 g/mol
Exact Mass327.13
IUPAC Name5-ethyl-3-[(3R)-1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-3-yl]-1,2,4-oxadiazole
SMILESCCc1nc([C@@H]2CCCN(c3nccc(C(F)(F)F)n3)C2)no1
InChIInChI=1S/C14H16F3N5O/c1-2-11-20-12(21-23-11)9-4-3-7-22(8-9)13-18-6-5-10(19-13)14(15,16)17/h5-6,9H,2-4,7-8H2,1H3/t9-/m1/s1
InChIKeyRKCPYMCUWWKYDK-SECBINFHSA-N
XLogP2.82
TPSA67.94 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.31
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5-ethyl-3-[(3R)-1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-3-yl]-1,2,4-oxadiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-3-[(3R)-1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-3-yl]-1,2,4-oxadiazole?
The IUPAC name of 5-ethyl-3-[(3R)-1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-3-yl]-1,2,4-oxadiazole (CID 95766121) is 5-ethyl-3-[(3R)-1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-3-yl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-ethyl-3-[(3R)-1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-3-yl]-1,2,4-oxadiazole?
The canonical SMILES for 5-ethyl-3-[(3R)-1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-3-yl]-1,2,4-oxadiazole is CCc1nc([C@@H]2CCCN(c3nccc(C(F)(F)F)n3)C2)no1.
What is the InChIKey of 5-ethyl-3-[(3R)-1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-3-yl]-1,2,4-oxadiazole?
The InChIKey is RKCPYMCUWWKYDK-SECBINFHSA-N. The full InChI is InChI=1S/C14H16F3N5O/c1-2-11-20-12(21-23-11)9-4-3-7-22(8-9)13-18-6-5-10(19-13)14(15,16)17/h5-6,9H,2-4,7-8H2,1H3/t9-/m1/s1.
What are the key properties of 5-ethyl-3-[(3R)-1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-3-yl]-1,2,4-oxadiazole?
5-ethyl-3-[(3R)-1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-3-yl]-1,2,4-oxadiazole has a molecular weight of 327.31 g/mol, XLogP of 2.82, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-3-[(3R)-1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-3-yl]-1,2,4-oxadiazole is sourced from PubChem (CID 95766121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).