5-cyclopropyl-3-[[3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]methyl]-1,2,4-oxadiazole

C16H20F3N5O — CID 128978774

IUPAC5-cyclopropyl-3-[[3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]methyl]-1,2,4-oxadiazole
SMILESCn1cc(C(F)(F)F)nc1C1CCCN(Cc2noc(C3CC3)n2)C1
InChIInChI=1S/C16H20F3N5O/c1-23-8-12(16(17,18)19)20-14(23)11-3-2-6-24(7-11)9-13-21-15(25-22-13)10-4-5-10/h8,10-11H,2-7,9H2,1H3
InChIKeyADWOIGHAYAPXBS-UHFFFAOYSA-N
MW355.36 g/mol
LogP3.08
Rot. Bonds4

About 5-cyclopropyl-3-[[3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]methyl]-1,2,4-oxadiazole

5-cyclopropyl-3-[[3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]methyl]-1,2,4-oxadiazole (PubChem CID 128978774) has the molecular formula C16H20F3N5O and a molecular weight of 355.36 g/mol. Its IUPAC name is 5-cyclopropyl-3-[[3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]methyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-cyclopropyl-3-[[3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]methyl]-1,2,4-oxadiazole
PubChem CID128978774
Molecular FormulaC16H20F3N5O
Molecular Weight355.36 g/mol
Exact Mass355.16
IUPAC Name5-cyclopropyl-3-[[3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]methyl]-1,2,4-oxadiazole
SMILESCn1cc(C(F)(F)F)nc1C1CCCN(Cc2noc(C3CC3)n2)C1
InChIInChI=1S/C16H20F3N5O/c1-23-8-12(16(17,18)19)20-14(23)11-3-2-6-24(7-11)9-13-21-15(25-22-13)10-4-5-10/h8,10-11H,2-7,9H2,1H3
InChIKeyADWOIGHAYAPXBS-UHFFFAOYSA-N
XLogP3.08
TPSA59.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.36
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-3-[[3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]methyl]-1,2,4-oxadiazole?
The IUPAC name of 5-cyclopropyl-3-[[3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]methyl]-1,2,4-oxadiazole (CID 128978774) is 5-cyclopropyl-3-[[3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]methyl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-cyclopropyl-3-[[3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]methyl]-1,2,4-oxadiazole?
The canonical SMILES for 5-cyclopropyl-3-[[3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]methyl]-1,2,4-oxadiazole is Cn1cc(C(F)(F)F)nc1C1CCCN(Cc2noc(C3CC3)n2)C1.
What is the InChIKey of 5-cyclopropyl-3-[[3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]methyl]-1,2,4-oxadiazole?
The InChIKey is ADWOIGHAYAPXBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20F3N5O/c1-23-8-12(16(17,18)19)20-14(23)11-3-2-6-24(7-11)9-13-21-15(25-22-13)10-4-5-10/h8,10-11H,2-7,9H2,1H3.
What are the key properties of 5-cyclopropyl-3-[[3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]methyl]-1,2,4-oxadiazole?
5-cyclopropyl-3-[[3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]methyl]-1,2,4-oxadiazole has a molecular weight of 355.36 g/mol, XLogP of 3.08, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-3-[[3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]methyl]-1,2,4-oxadiazole is sourced from PubChem (CID 128978774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).