5-cyclopropyl-N-[[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]methyl]-1,3,4-oxadiazol-2-amine

C17H24N4O2 — CID 72854386

IUPAC5-cyclopropyl-N-[[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]methyl]-1,3,4-oxadiazol-2-amine
SMILESCc1ccc(CN2CCC(CNc3nnc(C4CC4)o3)CC2)o1
InChIInChI=1S/C17H24N4O2/c1-12-2-5-15(22-12)11-21-8-6-13(7-9-21)10-18-17-20-19-16(23-17)14-3-4-14/h2,5,13-14H,3-4,6-11H2,1H3,(H,18,20)
InChIKeyKIUAADXZAWLHIN-UHFFFAOYSA-N
MW316.40 g/mol
LogP3.17
Rot. Bonds6

About 5-cyclopropyl-N-[[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]methyl]-1,3,4-oxadiazol-2-amine

5-cyclopropyl-N-[[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]methyl]-1,3,4-oxadiazol-2-amine (PubChem CID 72854386) has the molecular formula C17H24N4O2 and a molecular weight of 316.40 g/mol. Its IUPAC name is 5-cyclopropyl-N-[[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]methyl]-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-cyclopropyl-N-[[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]methyl]-1,3,4-oxadiazol-2-amine
PubChem CID72854386
Molecular FormulaC17H24N4O2
Molecular Weight316.40 g/mol
Exact Mass316.19
IUPAC Name5-cyclopropyl-N-[[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]methyl]-1,3,4-oxadiazol-2-amine
SMILESCc1ccc(CN2CCC(CNc3nnc(C4CC4)o3)CC2)o1
InChIInChI=1S/C17H24N4O2/c1-12-2-5-15(22-12)11-21-8-6-13(7-9-21)10-18-17-20-19-16(23-17)14-3-4-14/h2,5,13-14H,3-4,6-11H2,1H3,(H,18,20)
InChIKeyKIUAADXZAWLHIN-UHFFFAOYSA-N
XLogP3.17
TPSA67.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-N-[[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]methyl]-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-cyclopropyl-N-[[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]methyl]-1,3,4-oxadiazol-2-amine (CID 72854386) is 5-cyclopropyl-N-[[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]methyl]-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-cyclopropyl-N-[[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]methyl]-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-cyclopropyl-N-[[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]methyl]-1,3,4-oxadiazol-2-amine is Cc1ccc(CN2CCC(CNc3nnc(C4CC4)o3)CC2)o1.
What is the InChIKey of 5-cyclopropyl-N-[[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]methyl]-1,3,4-oxadiazol-2-amine?
The InChIKey is KIUAADXZAWLHIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O2/c1-12-2-5-15(22-12)11-21-8-6-13(7-9-21)10-18-17-20-19-16(23-17)14-3-4-14/h2,5,13-14H,3-4,6-11H2,1H3,(H,18,20).
What are the key properties of 5-cyclopropyl-N-[[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]methyl]-1,3,4-oxadiazol-2-amine?
5-cyclopropyl-N-[[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]methyl]-1,3,4-oxadiazol-2-amine has a molecular weight of 316.40 g/mol, XLogP of 3.17, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-N-[[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]methyl]-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 72854386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).