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

C7H12N2O3 — CID 79604650

IUPAC(1S)-1-[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]ethanol
SMILESCOC(C)c1noc([C@H](C)O)n1
InChIInChI=1S/C7H12N2O3/c1-4(10)7-8-6(9-12-7)5(2)11-3/h4-5,10H,1-3H3/t4-,5?/m0/s1
InChIKeyDYVQWYZRYSIKFP-ROLXFIACSA-N
MW172.18 g/mol
LogP0.83
Rot. Bonds3

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

(1S)-1-[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]ethanol (PubChem CID 79604650) has the molecular formula C7H12N2O3 and a molecular weight of 172.18 g/mol. Its IUPAC name is (1S)-1-[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]ethanol.

Molecular Properties

Compound Name(1S)-1-[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]ethanol
PubChem CID79604650
Molecular FormulaC7H12N2O3
Molecular Weight172.18 g/mol
Exact Mass172.08
IUPAC Name(1S)-1-[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]ethanol
SMILESCOC(C)c1noc([C@H](C)O)n1
InChIInChI=1S/C7H12N2O3/c1-4(10)7-8-6(9-12-7)5(2)11-3/h4-5,10H,1-3H3/t4-,5?/m0/s1
InChIKeyDYVQWYZRYSIKFP-ROLXFIACSA-N
XLogP0.83
TPSA68.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.18
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (1S)-1-[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]ethanol with MolForge

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Related Compounds

1-[5-(1-methoxyethyl)-1,2,4-oxadiazol-3-yl]propan-1-ol
CID 103096193
5-(diethoxymethyl)-3-(1-methoxyethyl)-1,2,4-oxadiazole
CID 79605448
3-amino-3-[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]propan-1-ol
CID 79614154
(1S)-1-[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]-2-methylbutan-1-amine
CID 104900222
1-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]ethanol
CID 63349469
(1S)-1-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]ethanol
CID 66263590
1-(3-benzhydryl-1,2,4-oxadiazol-5-yl)ethanol
CID 63346229
1-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]ethanol
CID 63349188
1-[3-[(1S)-1-methoxyethyl]-1,2,4-oxadiazol-5-yl]-N-methylmethanamine
CID 95757338
3-hydroxy-4-[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]butanenitrile
CID 106525804
3-[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]propanoic acid
CID 71755379
(1S)-1-[3-(3-methoxypropyl)-1,2,4-oxadiazol-5-yl]ethanol
CID 66264295

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]ethanol?
The IUPAC name of (1S)-1-[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]ethanol (CID 79604650) is (1S)-1-[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]ethanol.
What is the SMILES notation for (1S)-1-[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]ethanol?
The canonical SMILES for (1S)-1-[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]ethanol is COC(C)c1noc([C@H](C)O)n1.
What is the InChIKey of (1S)-1-[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]ethanol?
The InChIKey is DYVQWYZRYSIKFP-ROLXFIACSA-N. The full InChI is InChI=1S/C7H12N2O3/c1-4(10)7-8-6(9-12-7)5(2)11-3/h4-5,10H,1-3H3/t4-,5?/m0/s1.
What are the key properties of (1S)-1-[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]ethanol?
(1S)-1-[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]ethanol has a molecular weight of 172.18 g/mol, XLogP of 0.83, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]ethanol is sourced from PubChem (CID 79604650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).