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

C16H20F3N5O — CID 128978588

IUPAC3-cyclopropyl-5-[[3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]methyl]-1,2,4-oxadiazole
SMILESCn1cc(C(F)(F)F)nc1C1CCCN(Cc2nc(C3CC3)no2)C1
InChIInChI=1S/C16H20F3N5O/c1-23-8-12(16(17,18)19)20-15(23)11-3-2-6-24(7-11)9-13-21-14(22-25-13)10-4-5-10/h8,10-11H,2-7,9H2,1H3
InChIKeyCDAPAOMNNUTTLG-UHFFFAOYSA-N
MW355.36 g/mol
LogP3.08
Rot. Bonds4

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

3-cyclopropyl-5-[[3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]methyl]-1,2,4-oxadiazole (PubChem CID 128978588) has the molecular formula C16H20F3N5O and a molecular weight of 355.36 g/mol. Its IUPAC name is 3-cyclopropyl-5-[[3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]methyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-cyclopropyl-5-[[3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]methyl]-1,2,4-oxadiazole
PubChem CID128978588
Molecular FormulaC16H20F3N5O
Molecular Weight355.36 g/mol
Exact Mass355.16
IUPAC Name3-cyclopropyl-5-[[3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]methyl]-1,2,4-oxadiazole
SMILESCn1cc(C(F)(F)F)nc1C1CCCN(Cc2nc(C3CC3)no2)C1
InChIInChI=1S/C16H20F3N5O/c1-23-8-12(16(17,18)19)20-15(23)11-3-2-6-24(7-11)9-13-21-14(22-25-13)10-4-5-10/h8,10-11H,2-7,9H2,1H3
InChIKeyCDAPAOMNNUTTLG-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

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

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Related Compounds

5-methyl-2-[[(3R)-3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]methyl]-1,3-oxazole
CID 129351271
1-[(4-methyl-1,2,4-triazol-3-yl)methyl]-3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidine
CID 128978577
N-[2-[3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]ethyl]methanesulfonamide
CID 154739693
3-cyclopropyl-5-[[3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methyl]-1,2,4-oxadiazole
CID 131943740
2-[(3R)-3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]pyrimidine
CID 129351066
3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]-1-(oxetan-3-ylsulfonyl)piperidine
CID 154795526
1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxylic acid
CID 56686775
1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-3-methylpiperidin-4-amine;hydrochloride
CID 119925264
3-cyclopropyl-5-[(4-ethylpiperazin-1-yl)methyl]-1,2,4-oxadiazole
CID 47022082
(5-methyl-2H-triazol-4-yl)-[3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]methanone
CID 128980244
3-cyclopropyl-5-[[4-(1-methylpyrazol-4-yl)piperidin-1-yl]methyl]-1,2,4-oxadiazole
CID 86773607
(1-methylpyrazol-4-yl)-[(3S)-3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]methanone
CID 129346418

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-5-[[3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]methyl]-1,2,4-oxadiazole?
The IUPAC name of 3-cyclopropyl-5-[[3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]methyl]-1,2,4-oxadiazole (CID 128978588) is 3-cyclopropyl-5-[[3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]methyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-cyclopropyl-5-[[3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]methyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-cyclopropyl-5-[[3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]methyl]-1,2,4-oxadiazole is Cn1cc(C(F)(F)F)nc1C1CCCN(Cc2nc(C3CC3)no2)C1.
What is the InChIKey of 3-cyclopropyl-5-[[3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]methyl]-1,2,4-oxadiazole?
The InChIKey is CDAPAOMNNUTTLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20F3N5O/c1-23-8-12(16(17,18)19)20-15(23)11-3-2-6-24(7-11)9-13-21-14(22-25-13)10-4-5-10/h8,10-11H,2-7,9H2,1H3.
What are the key properties of 3-cyclopropyl-5-[[3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]methyl]-1,2,4-oxadiazole?
3-cyclopropyl-5-[[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 3-cyclopropyl-5-[[3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]methyl]-1,2,4-oxadiazole is sourced from PubChem (CID 128978588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).