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

C20H29N3O2 — CID 74239558

IUPAC5-cyclopropyl-3-[[1-[3-(5-methylfuran-2-yl)butyl]piperidin-4-yl]methyl]-1,2,4-oxadiazole
SMILESCc1ccc(C(C)CCN2CCC(Cc3noc(C4CC4)n3)CC2)o1
InChIInChI=1S/C20H29N3O2/c1-14(18-6-3-15(2)24-18)7-10-23-11-8-16(9-12-23)13-19-21-20(25-22-19)17-4-5-17/h3,6,14,16-17H,4-5,7-13H2,1-2H3
InChIKeyWHRFFOWZKQGMFJ-UHFFFAOYSA-N
MW343.47 g/mol
LogP4.30
Rot. Bonds7

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

5-cyclopropyl-3-[[1-[3-(5-methylfuran-2-yl)butyl]piperidin-4-yl]methyl]-1,2,4-oxadiazole (PubChem CID 74239558) has the molecular formula C20H29N3O2 and a molecular weight of 343.47 g/mol. Its IUPAC name is 5-cyclopropyl-3-[[1-[3-(5-methylfuran-2-yl)butyl]piperidin-4-yl]methyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-cyclopropyl-3-[[1-[3-(5-methylfuran-2-yl)butyl]piperidin-4-yl]methyl]-1,2,4-oxadiazole
PubChem CID74239558
Molecular FormulaC20H29N3O2
Molecular Weight343.47 g/mol
Exact Mass343.23
IUPAC Name5-cyclopropyl-3-[[1-[3-(5-methylfuran-2-yl)butyl]piperidin-4-yl]methyl]-1,2,4-oxadiazole
SMILESCc1ccc(C(C)CCN2CCC(Cc3noc(C4CC4)n3)CC2)o1
InChIInChI=1S/C20H29N3O2/c1-14(18-6-3-15(2)24-18)7-10-23-11-8-16(9-12-23)13-19-21-20(25-22-19)17-4-5-17/h3,6,14,16-17H,4-5,7-13H2,1-2H3
InChIKeyWHRFFOWZKQGMFJ-UHFFFAOYSA-N
XLogP4.30
TPSA55.30 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.47
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

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Related Compounds

5-methyl-3-[[4-[(3S)-3-(5-methylfuran-2-yl)butyl]piperazin-1-yl]methyl]-1,2,4-oxadiazole
CID 99927931
1-[3-(5-methylfuran-2-yl)butyl]-4-(1H-pyrazol-5-yl)piperidine
CID 74236751
5-cyclopropyl-3-(cyclopropylmethyl)-1,2,4-oxadiazole
CID 130718798
1-[3-(5-methylfuran-2-yl)butyl]piperidine-4-carboxamide
CID 44828082
3-[1-[3-(5-methylfuran-2-yl)butyl]piperidin-4-yl]-1-morpholin-4-ylpropan-1-one
CID 45218567
2-[4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]piperidine-1-carbonyl]-6-methylpyran-4-one
CID 91791625
4-ethyl-3-methyl-5-[4-[1-[(3R)-3-(5-methylfuran-2-yl)butyl]piperidin-4-yl]thiadiazol-5-yl]-1,2-oxazole
CID 95852323
1-[4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]-2-(3,4-dihydro-1H-isoquinolin-2-yl)propan-1-one
CID 72856906
5-cyclopropyl-3-[(1-pyrimidin-4-ylpiperidin-4-yl)methyl]-1,2,4-oxadiazole
CID 146155362
3-[4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]-N-[(2-fluorophenyl)methyl]propanamide
CID 91841404
[1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-3-yl]methanol
CID 62372084
1-[1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-3-yl]ethanamine
CID 112630226

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-3-[[1-[3-(5-methylfuran-2-yl)butyl]piperidin-4-yl]methyl]-1,2,4-oxadiazole?
The IUPAC name of 5-cyclopropyl-3-[[1-[3-(5-methylfuran-2-yl)butyl]piperidin-4-yl]methyl]-1,2,4-oxadiazole (CID 74239558) is 5-cyclopropyl-3-[[1-[3-(5-methylfuran-2-yl)butyl]piperidin-4-yl]methyl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-cyclopropyl-3-[[1-[3-(5-methylfuran-2-yl)butyl]piperidin-4-yl]methyl]-1,2,4-oxadiazole?
The canonical SMILES for 5-cyclopropyl-3-[[1-[3-(5-methylfuran-2-yl)butyl]piperidin-4-yl]methyl]-1,2,4-oxadiazole is Cc1ccc(C(C)CCN2CCC(Cc3noc(C4CC4)n3)CC2)o1.
What is the InChIKey of 5-cyclopropyl-3-[[1-[3-(5-methylfuran-2-yl)butyl]piperidin-4-yl]methyl]-1,2,4-oxadiazole?
The InChIKey is WHRFFOWZKQGMFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O2/c1-14(18-6-3-15(2)24-18)7-10-23-11-8-16(9-12-23)13-19-21-20(25-22-19)17-4-5-17/h3,6,14,16-17H,4-5,7-13H2,1-2H3.
What are the key properties of 5-cyclopropyl-3-[[1-[3-(5-methylfuran-2-yl)butyl]piperidin-4-yl]methyl]-1,2,4-oxadiazole?
5-cyclopropyl-3-[[1-[3-(5-methylfuran-2-yl)butyl]piperidin-4-yl]methyl]-1,2,4-oxadiazole has a molecular weight of 343.47 g/mol, XLogP of 4.30, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-3-[[1-[3-(5-methylfuran-2-yl)butyl]piperidin-4-yl]methyl]-1,2,4-oxadiazole is sourced from PubChem (CID 74239558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).