1-(5-methyl-1,2,4-oxadiazol-3-yl)ethanol

C5H8N2O2 — CID 75525832

IUPAC1-(5-methyl-1,2,4-oxadiazol-3-yl)ethanol
SMILESCc1nc(C(C)O)no1
InChIInChI=1S/C5H8N2O2/c1-3(8)5-6-4(2)9-7-5/h3,8H,1-2H3
InChIKeyZKMLNFVUVVWVCD-UHFFFAOYSA-N
MW128.13 g/mol
LogP0.43
Rot. Bonds1

About 1-(5-methyl-1,2,4-oxadiazol-3-yl)ethanol

1-(5-methyl-1,2,4-oxadiazol-3-yl)ethanol (PubChem CID 75525832) has the molecular formula C5H8N2O2 and a molecular weight of 128.13 g/mol. Its IUPAC name is 1-(5-methyl-1,2,4-oxadiazol-3-yl)ethanol.

Molecular Properties

Compound Name1-(5-methyl-1,2,4-oxadiazol-3-yl)ethanol
PubChem CID75525832
Molecular FormulaC5H8N2O2
Molecular Weight128.13 g/mol
Exact Mass128.06
IUPAC Name1-(5-methyl-1,2,4-oxadiazol-3-yl)ethanol
SMILESCc1nc(C(C)O)no1
InChIInChI=1S/C5H8N2O2/c1-3(8)5-6-4(2)9-7-5/h3,8H,1-2H3
InChIKeyZKMLNFVUVVWVCD-UHFFFAOYSA-N
XLogP0.43
TPSA59.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.13
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-methyl-3-propan-2-yl-1,2,4-oxadiazole
CID 18785175
1-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]ethanol
CID 103594655
5-methyl-3-(2-methylpentan-3-yl)-1,2,4-oxadiazole
CID 91277135
(1S)-1-(5-methyl-1,2,4-oxadiazol-3-yl)propan-1-amine
CID 93243352
1-[5-[(4-methylphenyl)methyl]-1,2,4-oxadiazol-3-yl]ethanol
CID 102660586
1-(5-phenyl-1,2,4-oxadiazol-3-yl)ethanol
CID 75481811
1-[5-(2-methylbutyl)-1,2,4-oxadiazol-3-yl]ethanol
CID 102660564
1-[5-(3-methylfuran-2-yl)-1,2,4-oxadiazol-3-yl]ethanol
CID 102660767
1-(5-hexa-2,4-dien-3-yl-1,2,4-oxadiazol-3-yl)ethanol
CID 123621509
1-[5-(2,4-dimethylphenyl)-1,2,4-oxadiazol-3-yl]ethanol
CID 102660575
N-methyl-1-(5-methyl-1,2,4-oxadiazol-3-yl)propan-1-amine
CID 130626350
1-(5-octyl-1,2,4-oxadiazol-3-yl)ethanol
CID 102660835

Frequently Asked Questions

What is the IUPAC name of 1-(5-methyl-1,2,4-oxadiazol-3-yl)ethanol?
The IUPAC name of 1-(5-methyl-1,2,4-oxadiazol-3-yl)ethanol (CID 75525832) is 1-(5-methyl-1,2,4-oxadiazol-3-yl)ethanol.
What is the SMILES notation for 1-(5-methyl-1,2,4-oxadiazol-3-yl)ethanol?
The canonical SMILES for 1-(5-methyl-1,2,4-oxadiazol-3-yl)ethanol is Cc1nc(C(C)O)no1.
What is the InChIKey of 1-(5-methyl-1,2,4-oxadiazol-3-yl)ethanol?
The InChIKey is ZKMLNFVUVVWVCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2O2/c1-3(8)5-6-4(2)9-7-5/h3,8H,1-2H3.
What are the key properties of 1-(5-methyl-1,2,4-oxadiazol-3-yl)ethanol?
1-(5-methyl-1,2,4-oxadiazol-3-yl)ethanol has a molecular weight of 128.13 g/mol, XLogP of 0.43, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methyl-1,2,4-oxadiazol-3-yl)ethanol is sourced from PubChem (CID 75525832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).