2-[cyclopentyl-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]amino]ethanol

C14H19N3O3 — CID 62014677

IUPAC2-[cyclopentyl-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]amino]ethanol
SMILESOCCN(Cc1nc(-c2ccco2)no1)C1CCCC1
InChIInChI=1S/C14H19N3O3/c18-8-7-17(11-4-1-2-5-11)10-13-15-14(16-20-13)12-6-3-9-19-12/h3,6,9,11,18H,1-2,4-5,7-8,10H2
InChIKeyHTWKCSJFGMWHER-UHFFFAOYSA-N
MW277.32 g/mol
LogP2.07
Rot. Bonds6

About 2-[cyclopentyl-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]amino]ethanol

2-[cyclopentyl-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]amino]ethanol (PubChem CID 62014677) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is 2-[cyclopentyl-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]amino]ethanol.

Molecular Properties

Compound Name2-[cyclopentyl-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]amino]ethanol
PubChem CID62014677
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC Name2-[cyclopentyl-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]amino]ethanol
SMILESOCCN(Cc1nc(-c2ccco2)no1)C1CCCC1
InChIInChI=1S/C14H19N3O3/c18-8-7-17(11-4-1-2-5-11)10-13-15-14(16-20-13)12-6-3-9-19-12/h3,6,9,11,18H,1-2,4-5,7-8,10H2
InChIKeyHTWKCSJFGMWHER-UHFFFAOYSA-N
XLogP2.07
TPSA75.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[cyclopentyl-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]amino]ethanol?
The IUPAC name of 2-[cyclopentyl-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]amino]ethanol (CID 62014677) is 2-[cyclopentyl-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]amino]ethanol.
What is the SMILES notation for 2-[cyclopentyl-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]amino]ethanol?
The canonical SMILES for 2-[cyclopentyl-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]amino]ethanol is OCCN(Cc1nc(-c2ccco2)no1)C1CCCC1.
What is the InChIKey of 2-[cyclopentyl-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]amino]ethanol?
The InChIKey is HTWKCSJFGMWHER-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3/c18-8-7-17(11-4-1-2-5-11)10-13-15-14(16-20-13)12-6-3-9-19-12/h3,6,9,11,18H,1-2,4-5,7-8,10H2.
What are the key properties of 2-[cyclopentyl-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]amino]ethanol?
2-[cyclopentyl-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]amino]ethanol has a molecular weight of 277.32 g/mol, XLogP of 2.07, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopentyl-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]amino]ethanol is sourced from PubChem (CID 62014677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).