[3-(2-morpholin-4-ylethyl)-1,2,4-oxadiazol-5-yl]methanol

C9H15N3O3 — CID 115080018

IUPAC[3-(2-morpholin-4-ylethyl)-1,2,4-oxadiazol-5-yl]methanol
SMILESOCc1nc(CCN2CCOCC2)no1
InChIInChI=1S/C9H15N3O3/c13-7-9-10-8(11-15-9)1-2-12-3-5-14-6-4-12/h13H,1-7H2
InChIKeyLOLOHCSLUQEZBG-UHFFFAOYSA-N
MW213.24 g/mol
LogP-0.56
Rot. Bonds4

About [3-(2-morpholin-4-ylethyl)-1,2,4-oxadiazol-5-yl]methanol

[3-(2-morpholin-4-ylethyl)-1,2,4-oxadiazol-5-yl]methanol (PubChem CID 115080018) has the molecular formula C9H15N3O3 and a molecular weight of 213.24 g/mol. Its IUPAC name is [3-(2-morpholin-4-ylethyl)-1,2,4-oxadiazol-5-yl]methanol.

Molecular Properties

Compound Name[3-(2-morpholin-4-ylethyl)-1,2,4-oxadiazol-5-yl]methanol
PubChem CID115080018
Molecular FormulaC9H15N3O3
Molecular Weight213.24 g/mol
Exact Mass213.11
IUPAC Name[3-(2-morpholin-4-ylethyl)-1,2,4-oxadiazol-5-yl]methanol
SMILESOCc1nc(CCN2CCOCC2)no1
InChIInChI=1S/C9H15N3O3/c13-7-9-10-8(11-15-9)1-2-12-3-5-14-6-4-12/h13H,1-7H2
InChIKeyLOLOHCSLUQEZBG-UHFFFAOYSA-N
XLogP-0.56
TPSA71.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.24
LogP ≤ 5-0.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[3-(2-morpholin-4-ylethyl)-1,2,4-oxadiazol-5-yl]acetaldehyde
CID 115080623
2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl-(2-morpholin-4-ylethyl)amino]ethanol
CID 111753093
(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)methanol
CID 116808962
[3-(azetidin-1-ylmethyl)-1,2,4-oxadiazol-5-yl]methanol
CID 130627522
(3-butyl-1,2,4-oxadiazol-5-yl)methanol
CID 43558836
N-methyl-2-[3-(2-piperidin-1-ylethyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 115081538
2-[5-(2-pyrrolidin-1-ylethyl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 115079506
[3-[(1-ethylpyrrolidin-2-yl)methyl]-1,2,4-oxadiazol-5-yl]methanol
CID 115079962
2-[4-[(3-butyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]ethanol
CID 47020572
morpholin-4-yl-[4-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]methanone
CID 134038915
N-methyl-2-[5-(2-piperidin-1-ylethyl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 115079552
N-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-N-methyl-2-morpholin-4-ylethanamine
CID 29259012

Frequently Asked Questions

What is the IUPAC name of [3-(2-morpholin-4-ylethyl)-1,2,4-oxadiazol-5-yl]methanol?
The IUPAC name of [3-(2-morpholin-4-ylethyl)-1,2,4-oxadiazol-5-yl]methanol (CID 115080018) is [3-(2-morpholin-4-ylethyl)-1,2,4-oxadiazol-5-yl]methanol.
What is the SMILES notation for [3-(2-morpholin-4-ylethyl)-1,2,4-oxadiazol-5-yl]methanol?
The canonical SMILES for [3-(2-morpholin-4-ylethyl)-1,2,4-oxadiazol-5-yl]methanol is OCc1nc(CCN2CCOCC2)no1.
What is the InChIKey of [3-(2-morpholin-4-ylethyl)-1,2,4-oxadiazol-5-yl]methanol?
The InChIKey is LOLOHCSLUQEZBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O3/c13-7-9-10-8(11-15-9)1-2-12-3-5-14-6-4-12/h13H,1-7H2.
What are the key properties of [3-(2-morpholin-4-ylethyl)-1,2,4-oxadiazol-5-yl]methanol?
[3-(2-morpholin-4-ylethyl)-1,2,4-oxadiazol-5-yl]methanol has a molecular weight of 213.24 g/mol, XLogP of -0.56, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-morpholin-4-ylethyl)-1,2,4-oxadiazol-5-yl]methanol is sourced from PubChem (CID 115080018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).