[4-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-6-methylmorpholin-2-yl]methanol

C13H17N3O4 — CID 102935790

IUPAC[4-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-6-methylmorpholin-2-yl]methanol
SMILESCC1CN(Cc2nc(-c3ccco3)no2)CC(CO)O1
InChIInChI=1S/C13H17N3O4/c1-9-5-16(6-10(8-17)19-9)7-12-14-13(15-20-12)11-3-2-4-18-11/h2-4,9-10,17H,5-8H2,1H3
InChIKeyMXARPHPXJOOODQ-UHFFFAOYSA-N
MW279.30 g/mol
LogP0.91
Rot. Bonds4

About [4-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-6-methylmorpholin-2-yl]methanol

[4-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-6-methylmorpholin-2-yl]methanol (PubChem CID 102935790) has the molecular formula C13H17N3O4 and a molecular weight of 279.30 g/mol. Its IUPAC name is [4-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-6-methylmorpholin-2-yl]methanol.

Molecular Properties

Compound Name[4-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-6-methylmorpholin-2-yl]methanol
PubChem CID102935790
Molecular FormulaC13H17N3O4
Molecular Weight279.30 g/mol
Exact Mass279.12
IUPAC Name[4-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-6-methylmorpholin-2-yl]methanol
SMILESCC1CN(Cc2nc(-c3ccco3)no2)CC(CO)O1
InChIInChI=1S/C13H17N3O4/c1-9-5-16(6-10(8-17)19-9)7-12-14-13(15-20-12)11-3-2-4-18-11/h2-4,9-10,17H,5-8H2,1H3
InChIKeyMXARPHPXJOOODQ-UHFFFAOYSA-N
XLogP0.91
TPSA84.76 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [4-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-6-methylmorpholin-2-yl]methanol with MolForge

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Related Compounds

3-(furan-2-yl)-5-[[4-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]methyl]-1,2,4-oxadiazole
CID 37202045
3-(furan-2-yl)-5-[(3-methylpiperidin-1-yl)methyl]-1,2,4-oxadiazole
CID 134019527
3-(furan-2-yl)-5-(pyrrolidin-1-ylmethyl)-1,2,4-oxadiazole
CID 51076543
(3S,4S)-1-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-4-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 120953784
(3S,4R)-1-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-6,6-dimethylazepane-3,4-diol
CID 166294010
[1-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]-piperidin-1-ylmethanone
CID 134019590
[6-methyl-4-[(5-phenyl-1,3-oxazol-2-yl)methyl]morpholin-2-yl]methanol
CID 102936044
[(2R)-1-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidin-2-yl]methanol
CID 62046188
5-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylmethyl)-3-(furan-2-yl)-1,2,4-oxadiazole
CID 43052577
N-[[1-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]methyl]ethanamine
CID 80546709
(3S,4R)-1-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-4-(pyrazin-2-ylmethyl)pyrrolidin-3-ol
CID 135098037
[1-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidin-3-yl]methanamine;hydrochloride
CID 119917768

Frequently Asked Questions

What is the IUPAC name of [4-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-6-methylmorpholin-2-yl]methanol?
The IUPAC name of [4-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-6-methylmorpholin-2-yl]methanol (CID 102935790) is [4-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-6-methylmorpholin-2-yl]methanol.
What is the SMILES notation for [4-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-6-methylmorpholin-2-yl]methanol?
The canonical SMILES for [4-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-6-methylmorpholin-2-yl]methanol is CC1CN(Cc2nc(-c3ccco3)no2)CC(CO)O1.
What is the InChIKey of [4-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-6-methylmorpholin-2-yl]methanol?
The InChIKey is MXARPHPXJOOODQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O4/c1-9-5-16(6-10(8-17)19-9)7-12-14-13(15-20-12)11-3-2-4-18-11/h2-4,9-10,17H,5-8H2,1H3.
What are the key properties of [4-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-6-methylmorpholin-2-yl]methanol?
[4-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-6-methylmorpholin-2-yl]methanol has a molecular weight of 279.30 g/mol, XLogP of 0.91, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-6-methylmorpholin-2-yl]methanol is sourced from PubChem (CID 102935790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).