[3-(azetidin-1-ylmethyl)-1,2,4-oxadiazol-5-yl]methanol

C7H11N3O2 — CID 130627522

IUPAC[3-(azetidin-1-ylmethyl)-1,2,4-oxadiazol-5-yl]methanol
SMILESOCc1nc(CN2CCC2)no1
InChIInChI=1S/C7H11N3O2/c11-5-7-8-6(9-12-7)4-10-2-1-3-10/h11H,1-5H2
InChIKeyMBGNCCAXRFLYHW-UHFFFAOYSA-N
MW169.18 g/mol
LogP-0.23
Rot. Bonds3

About [3-(azetidin-1-ylmethyl)-1,2,4-oxadiazol-5-yl]methanol

[3-(azetidin-1-ylmethyl)-1,2,4-oxadiazol-5-yl]methanol (PubChem CID 130627522) has the molecular formula C7H11N3O2 and a molecular weight of 169.18 g/mol. Its IUPAC name is [3-(azetidin-1-ylmethyl)-1,2,4-oxadiazol-5-yl]methanol.

Molecular Properties

Compound Name[3-(azetidin-1-ylmethyl)-1,2,4-oxadiazol-5-yl]methanol
PubChem CID130627522
Molecular FormulaC7H11N3O2
Molecular Weight169.18 g/mol
Exact Mass169.09
IUPAC Name[3-(azetidin-1-ylmethyl)-1,2,4-oxadiazol-5-yl]methanol
SMILESOCc1nc(CN2CCC2)no1
InChIInChI=1S/C7H11N3O2/c11-5-7-8-6(9-12-7)4-10-2-1-3-10/h11H,1-5H2
InChIKeyMBGNCCAXRFLYHW-UHFFFAOYSA-N
XLogP-0.23
TPSA62.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.18
LogP ≤ 5-0.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[3-(2-morpholin-4-ylethyl)-1,2,4-oxadiazol-5-yl]methanol
CID 115080018
(3S)-1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-ol
CID 107225702
[(3S)-3-ethyl-1-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]piperidin-3-yl]methanol
CID 97141044
[3-[(4-cyclopentyloxypiperidin-1-yl)methyl]-1,2,4-oxadiazol-5-yl]methanamine
CID 120751593
1-[3-(pyrrolidin-1-ylmethyl)-1,2,4-oxadiazol-5-yl]ethanone
CID 130621937
1-[1-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]piperidin-4-yl]ethanol
CID 114218079
1-[4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]-2-methylpropan-2-ol
CID 63101300
3-(cyclopropylmethyl)-5-(piperidin-1-ylmethyl)-1,2,4-oxadiazole
CID 166250872
2-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1,4-diazepan-1-yl]acetic acid
CID 55119293
[3-[(1-ethylpyrrolidin-2-yl)methyl]-1,2,4-oxadiazol-5-yl]methanol
CID 115079962
2-[4-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]piperazin-1-yl]-1-(azepan-1-yl)ethanone
CID 120752571
2-[1-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]piperidin-3-yl]ethanol
CID 62357687

Frequently Asked Questions

What is the IUPAC name of [3-(azetidin-1-ylmethyl)-1,2,4-oxadiazol-5-yl]methanol?
The IUPAC name of [3-(azetidin-1-ylmethyl)-1,2,4-oxadiazol-5-yl]methanol (CID 130627522) is [3-(azetidin-1-ylmethyl)-1,2,4-oxadiazol-5-yl]methanol.
What is the SMILES notation for [3-(azetidin-1-ylmethyl)-1,2,4-oxadiazol-5-yl]methanol?
The canonical SMILES for [3-(azetidin-1-ylmethyl)-1,2,4-oxadiazol-5-yl]methanol is OCc1nc(CN2CCC2)no1.
What is the InChIKey of [3-(azetidin-1-ylmethyl)-1,2,4-oxadiazol-5-yl]methanol?
The InChIKey is MBGNCCAXRFLYHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O2/c11-5-7-8-6(9-12-7)4-10-2-1-3-10/h11H,1-5H2.
What are the key properties of [3-(azetidin-1-ylmethyl)-1,2,4-oxadiazol-5-yl]methanol?
[3-(azetidin-1-ylmethyl)-1,2,4-oxadiazol-5-yl]methanol has a molecular weight of 169.18 g/mol, XLogP of -0.23, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(azetidin-1-ylmethyl)-1,2,4-oxadiazol-5-yl]methanol is sourced from PubChem (CID 130627522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).