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

C6H11N3O3 — CID 104633189

IUPAC2-amino-2-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]ethanol
SMILESCOCc1nc(C(N)CO)no1
InChIInChI=1S/C6H11N3O3/c1-11-3-5-8-6(9-12-5)4(7)2-10/h4,10H,2-3,7H2,1H3
InChIKeyJZVKQMKHYMWRQY-UHFFFAOYSA-N
MW173.17 g/mol
LogP-0.79
Rot. Bonds4

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

2-amino-2-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]ethanol (PubChem CID 104633189) has the molecular formula C6H11N3O3 and a molecular weight of 173.17 g/mol. Its IUPAC name is 2-amino-2-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]ethanol.

Molecular Properties

Compound Name2-amino-2-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]ethanol
PubChem CID104633189
Molecular FormulaC6H11N3O3
Molecular Weight173.17 g/mol
Exact Mass173.08
IUPAC Name2-amino-2-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]ethanol
SMILESCOCc1nc(C(N)CO)no1
InChIInChI=1S/C6H11N3O3/c1-11-3-5-8-6(9-12-5)4(7)2-10/h4,10H,2-3,7H2,1H3
InChIKeyJZVKQMKHYMWRQY-UHFFFAOYSA-N
XLogP-0.79
TPSA94.40 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.17
LogP ≤ 5-0.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-amino-2-[5-(2,3,3-trimethylbutyl)-1,2,4-oxadiazol-3-yl]ethanol
CID 104633382
2-amino-2-[5-(phenoxymethyl)-1,2,4-oxadiazol-3-yl]ethanol
CID 104633124
2-cyclobutyloxy-1-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 104634860
2-amino-2-(5-nonyl-1,2,4-oxadiazol-3-yl)ethanol
CID 104633234
2-amino-2-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]ethanol
CID 130605155
2-amino-2-[5-[2-(2,2-difluoroethoxy)ethyl]-1,2,4-oxadiazol-3-yl]ethanol
CID 103211802
1-[5-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-3-yl]propan-1-amine
CID 104879987
2-amino-2-[5-(cyclohexylmethyl)-1,2,4-oxadiazol-3-yl]ethanol
CID 104633268
2-amino-2-[5-(2-methylbutan-2-yl)-1,2,4-oxadiazol-3-yl]ethanol
CID 104633421
2-amino-2-[5-(1-cyclopropylethyl)-1,2,4-oxadiazol-3-yl]ethanol
CID 104633437
2-amino-2-[5-(phenylsulfanylmethyl)-1,2,4-oxadiazol-3-yl]ethanol
CID 104633193
N',N'-dimethyl-1-[5-(propan-2-yloxymethyl)-1,2,4-oxadiazol-3-yl]ethane-1,2-diamine
CID 104635243

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]ethanol?
The IUPAC name of 2-amino-2-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]ethanol (CID 104633189) is 2-amino-2-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]ethanol.
What is the SMILES notation for 2-amino-2-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]ethanol?
The canonical SMILES for 2-amino-2-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]ethanol is COCc1nc(C(N)CO)no1.
What is the InChIKey of 2-amino-2-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]ethanol?
The InChIKey is JZVKQMKHYMWRQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3O3/c1-11-3-5-8-6(9-12-5)4(7)2-10/h4,10H,2-3,7H2,1H3.
What are the key properties of 2-amino-2-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]ethanol?
2-amino-2-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]ethanol has a molecular weight of 173.17 g/mol, XLogP of -0.79, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]ethanol is sourced from PubChem (CID 104633189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).