(1S)-1-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]ethanol

C6H10N2O3 — CID 66263590

IUPAC(1S)-1-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]ethanol
SMILESCOCc1noc([C@H](C)O)n1
InChIInChI=1S/C6H10N2O3/c1-4(9)6-7-5(3-10-2)8-11-6/h4,9H,3H2,1-2H3/t4-/m0/s1
InChIKeyYISQQNSEKFPTGN-BYPYZUCNSA-N
MW158.16 g/mol
LogP0.27
Rot. Bonds3

About (1S)-1-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]ethanol

(1S)-1-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]ethanol (PubChem CID 66263590) has the molecular formula C6H10N2O3 and a molecular weight of 158.16 g/mol. Its IUPAC name is (1S)-1-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]ethanol.

Molecular Properties

Compound Name(1S)-1-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]ethanol
PubChem CID66263590
Molecular FormulaC6H10N2O3
Molecular Weight158.16 g/mol
Exact Mass158.07
IUPAC Name(1S)-1-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]ethanol
SMILESCOCc1noc([C@H](C)O)n1
InChIInChI=1S/C6H10N2O3/c1-4(9)6-7-5(3-10-2)8-11-6/h4,9H,3H2,1-2H3/t4-/m0/s1
InChIKeyYISQQNSEKFPTGN-BYPYZUCNSA-N
XLogP0.27
TPSA68.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.16
LogP ≤ 50.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]ethanol
CID 63349469
1-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]ethanol
CID 63349188
5-(1-bromoethyl)-3-(methoxymethyl)-1,2,4-oxadiazole
CID 70538358
(1S)-1-[3-(3-methoxypropyl)-1,2,4-oxadiazol-5-yl]ethanol
CID 66264295
1,1,1-trifluoro-3-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]butan-2-ol
CID 63744740
(1S)-1-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 94241265
1-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-3-methylbutan-2-ol
CID 63349559
(1S)-1-[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]ethanol
CID 79604650
5-[1-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]ethyl]-3-(methoxymethyl)-1,2,4-oxadiazole
CID 75520339
2-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-N-propylpentan-3-amine
CID 55220796
3-[3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-5-yl]butan-2-ol
CID 103476792
(1R)-1-[4-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]ethanol
CID 78930415

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]ethanol?
The IUPAC name of (1S)-1-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]ethanol (CID 66263590) is (1S)-1-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]ethanol.
What is the SMILES notation for (1S)-1-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]ethanol?
The canonical SMILES for (1S)-1-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]ethanol is COCc1noc([C@H](C)O)n1.
What is the InChIKey of (1S)-1-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]ethanol?
The InChIKey is YISQQNSEKFPTGN-BYPYZUCNSA-N. The full InChI is InChI=1S/C6H10N2O3/c1-4(9)6-7-5(3-10-2)8-11-6/h4,9H,3H2,1-2H3/t4-/m0/s1.
What are the key properties of (1S)-1-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]ethanol?
(1S)-1-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]ethanol has a molecular weight of 158.16 g/mol, XLogP of 0.27, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]ethanol is sourced from PubChem (CID 66263590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).