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

C7H13N3O3 — CID 106109360

IUPAC2-[5-(2-amino-1-methoxyethyl)-1,2,4-oxadiazol-3-yl]ethanol
SMILESCOC(CN)c1nc(CCO)no1
InChIInChI=1S/C7H13N3O3/c1-12-5(4-8)7-9-6(2-3-11)10-13-7/h5,11H,2-4,8H2,1H3
InChIKeyISSLUFPLWBTGFU-UHFFFAOYSA-N
MW187.20 g/mol
LogP-0.75
Rot. Bonds5

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

2-[5-(2-amino-1-methoxyethyl)-1,2,4-oxadiazol-3-yl]ethanol (PubChem CID 106109360) has the molecular formula C7H13N3O3 and a molecular weight of 187.20 g/mol. Its IUPAC name is 2-[5-(2-amino-1-methoxyethyl)-1,2,4-oxadiazol-3-yl]ethanol.

Molecular Properties

Compound Name2-[5-(2-amino-1-methoxyethyl)-1,2,4-oxadiazol-3-yl]ethanol
PubChem CID106109360
Molecular FormulaC7H13N3O3
Molecular Weight187.20 g/mol
Exact Mass187.10
IUPAC Name2-[5-(2-amino-1-methoxyethyl)-1,2,4-oxadiazol-3-yl]ethanol
SMILESCOC(CN)c1nc(CCO)no1
InChIInChI=1S/C7H13N3O3/c1-12-5(4-8)7-9-6(2-3-11)10-13-7/h5,11H,2-4,8H2,1H3
InChIKeyISSLUFPLWBTGFU-UHFFFAOYSA-N
XLogP-0.75
TPSA94.40 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.20
LogP ≤ 5-0.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-methoxy-2-[3-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]ethanamine
CID 106109190
2-methoxy-2-[3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 114144549
2-[5-[(1S)-1-amino-2-methylbutyl]-1,2,4-oxadiazol-3-yl]ethanol
CID 104900337
2-methoxy-2-[3-[(3-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]ethanamine
CID 114144520
2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-methoxyethanamine
CID 106109161
2-[5-[(1S)-1-aminobutyl]-1,2,4-oxadiazol-3-yl]ethanol
CID 107565558
2-methoxy-2-[3-(1-methylcyclopropyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 106109316
2-methoxy-2-[3-(4-methylpiperazin-1-yl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 106109397
2-methoxy-2-[3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 106109357
2-methoxy-2-[3-(2-methylpyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 106109335
2-methoxy-2-[3-(oxan-3-yl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 106109266
4-[(2R)-2-amino-2-[3-(2-hydroxyethyl)-1,2,4-oxadiazol-5-yl]ethyl]phenol
CID 104905807

Frequently Asked Questions

What is the IUPAC name of 2-[5-(2-amino-1-methoxyethyl)-1,2,4-oxadiazol-3-yl]ethanol?
The IUPAC name of 2-[5-(2-amino-1-methoxyethyl)-1,2,4-oxadiazol-3-yl]ethanol (CID 106109360) is 2-[5-(2-amino-1-methoxyethyl)-1,2,4-oxadiazol-3-yl]ethanol.
What is the SMILES notation for 2-[5-(2-amino-1-methoxyethyl)-1,2,4-oxadiazol-3-yl]ethanol?
The canonical SMILES for 2-[5-(2-amino-1-methoxyethyl)-1,2,4-oxadiazol-3-yl]ethanol is COC(CN)c1nc(CCO)no1.
What is the InChIKey of 2-[5-(2-amino-1-methoxyethyl)-1,2,4-oxadiazol-3-yl]ethanol?
The InChIKey is ISSLUFPLWBTGFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3O3/c1-12-5(4-8)7-9-6(2-3-11)10-13-7/h5,11H,2-4,8H2,1H3.
What are the key properties of 2-[5-(2-amino-1-methoxyethyl)-1,2,4-oxadiazol-3-yl]ethanol?
2-[5-(2-amino-1-methoxyethyl)-1,2,4-oxadiazol-3-yl]ethanol has a molecular weight of 187.20 g/mol, XLogP of -0.75, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2-amino-1-methoxyethyl)-1,2,4-oxadiazol-3-yl]ethanol is sourced from PubChem (CID 106109360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).