5-[4-methoxy-1-(2-methylpropyl)piperidin-4-yl]-3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazole

C14H22F3N3O2 — CID 128973516

IUPAC5-[4-methoxy-1-(2-methylpropyl)piperidin-4-yl]-3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazole
SMILESCOC1(c2nc(CC(F)(F)F)no2)CCN(CC(C)C)CC1
InChIInChI=1S/C14H22F3N3O2/c1-10(2)9-20-6-4-13(21-3,5-7-20)12-18-11(19-22-12)8-14(15,16)17/h10H,4-9H2,1-3H3
InChIKeyJNFJJGZWCFXKGR-UHFFFAOYSA-N
MW321.34 g/mol
LogP2.77
Rot. Bonds5

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

5-[4-methoxy-1-(2-methylpropyl)piperidin-4-yl]-3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazole (PubChem CID 128973516) has the molecular formula C14H22F3N3O2 and a molecular weight of 321.34 g/mol. Its IUPAC name is 5-[4-methoxy-1-(2-methylpropyl)piperidin-4-yl]-3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[4-methoxy-1-(2-methylpropyl)piperidin-4-yl]-3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazole
PubChem CID128973516
Molecular FormulaC14H22F3N3O2
Molecular Weight321.34 g/mol
Exact Mass321.17
IUPAC Name5-[4-methoxy-1-(2-methylpropyl)piperidin-4-yl]-3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazole
SMILESCOC1(c2nc(CC(F)(F)F)no2)CCN(CC(C)C)CC1
InChIInChI=1S/C14H22F3N3O2/c1-10(2)9-20-6-4-13(21-3,5-7-20)12-18-11(19-22-12)8-14(15,16)17/h10H,4-9H2,1-3H3
InChIKeyJNFJJGZWCFXKGR-UHFFFAOYSA-N
XLogP2.77
TPSA51.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.34
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

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Related Compounds

methyl 1-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]cyclopropane-1-carboxylate
CID 79734287
3-(chloromethyl)-5-(1-methoxycyclohexyl)-1,2,4-oxadiazole
CID 164649556
3-(bromomethyl)-5-(4-methoxyoxan-4-yl)-1,2,4-oxadiazole
CID 164649560
3-benzyl-5-[4-methoxy-1-(1,3-thiazol-4-ylmethyl)piperidin-4-yl]-1,2,4-oxadiazole
CID 128973495
3-(isocyanomethyl)-5-(1-methoxycyclopentyl)-1,2,4-oxadiazole
CID 54016393
(2S)-1-[4-(3-benzyl-1,2,4-oxadiazol-5-yl)-4-methoxypiperidin-1-yl]-3-methoxy-2-methylpropan-1-one
CID 129482326
4-(5-ethyl-1,2,4-oxadiazol-3-yl)-1-(2-methylpropyl)piperidin-4-amine
CID 114079407
2-methoxy-1-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 81084381
3-benzyl-5-(4-methoxypiperidin-4-yl)-1,2,4-oxadiazole
CID 100656099
5-[1-[[4-(difluoromethoxy)phenyl]methyl]-4-methoxypiperidin-4-yl]-3-pyridin-2-yl-1,2,4-oxadiazole
CID 128973513
4-(methoxymethyl)-1-(2-methylpropyl)piperidin-4-ol
CID 103857787
5-(1-ethylsulfonyl-4-methoxypiperidin-4-yl)-3-(oxan-4-yl)-1,2,4-oxadiazole
CID 132972034

Frequently Asked Questions

What is the IUPAC name of 5-[4-methoxy-1-(2-methylpropyl)piperidin-4-yl]-3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazole?
The IUPAC name of 5-[4-methoxy-1-(2-methylpropyl)piperidin-4-yl]-3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazole (CID 128973516) is 5-[4-methoxy-1-(2-methylpropyl)piperidin-4-yl]-3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-[4-methoxy-1-(2-methylpropyl)piperidin-4-yl]-3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-[4-methoxy-1-(2-methylpropyl)piperidin-4-yl]-3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazole is COC1(c2nc(CC(F)(F)F)no2)CCN(CC(C)C)CC1.
What is the InChIKey of 5-[4-methoxy-1-(2-methylpropyl)piperidin-4-yl]-3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazole?
The InChIKey is JNFJJGZWCFXKGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22F3N3O2/c1-10(2)9-20-6-4-13(21-3,5-7-20)12-18-11(19-22-12)8-14(15,16)17/h10H,4-9H2,1-3H3.
What are the key properties of 5-[4-methoxy-1-(2-methylpropyl)piperidin-4-yl]-3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazole?
5-[4-methoxy-1-(2-methylpropyl)piperidin-4-yl]-3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazole has a molecular weight of 321.34 g/mol, XLogP of 2.77, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-methoxy-1-(2-methylpropyl)piperidin-4-yl]-3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazole is sourced from PubChem (CID 128973516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).