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

C13H17N3O3 — CID 61412543

IUPAC2-[4-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]anilino]ethanol
SMILESCOCCc1noc(-c2ccc(NCCO)cc2)n1
InChIInChI=1S/C13H17N3O3/c1-18-9-6-12-15-13(19-16-12)10-2-4-11(5-3-10)14-7-8-17/h2-5,14,17H,6-9H2,1H3
InChIKeyLIAUOXZYAGJLKL-UHFFFAOYSA-N
MW263.30 g/mol
LogP1.33
Rot. Bonds7

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

2-[4-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]anilino]ethanol (PubChem CID 61412543) has the molecular formula C13H17N3O3 and a molecular weight of 263.30 g/mol. Its IUPAC name is 2-[4-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]anilino]ethanol.

Molecular Properties

Compound Name2-[4-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]anilino]ethanol
PubChem CID61412543
Molecular FormulaC13H17N3O3
Molecular Weight263.30 g/mol
Exact Mass263.13
IUPAC Name2-[4-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]anilino]ethanol
SMILESCOCCc1noc(-c2ccc(NCCO)cc2)n1
InChIInChI=1S/C13H17N3O3/c1-18-9-6-12-15-13(19-16-12)10-2-4-11(5-3-10)14-7-8-17/h2-5,14,17H,6-9H2,1H3
InChIKeyLIAUOXZYAGJLKL-UHFFFAOYSA-N
XLogP1.33
TPSA80.41 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)anilino]ethanol
CID 60837428
5-[4-(2-hydroxyethylamino)phenyl]-N-methyl-1,2,4-oxadiazole-3-carboxamide
CID 102790538
2-[4-[3-(1-methoxybutyl)-1,2,4-oxadiazol-5-yl]anilino]ethanol
CID 116702620
2-[4-[3-[ethyl(methyl)amino]-1,2,4-oxadiazol-5-yl]anilino]ethanol
CID 116808303
4-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]-2-methylaniline
CID 61412594
2-[4-[3-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-5-yl]anilino]ethanol
CID 107925177
2-[4-[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]anilino]ethanol
CID 65196493
2-[2-methoxyethyl-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]amino]ethanol
CID 115613587
5-[3-(3-methoxypropyl)-1,2,4-oxadiazol-5-yl]-2-methylphenol
CID 65094056
2-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]-N-methylethanamine
CID 25220755
5-[4-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-3-(2-methoxyethyl)-1,2,4-oxadiazole
CID 72844030
5-[3-[2-(2-methoxyethoxy)ethyl]-1,2,4-oxadiazol-5-yl]pyridin-2-amine
CID 102926540

Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]anilino]ethanol?
The IUPAC name of 2-[4-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]anilino]ethanol (CID 61412543) is 2-[4-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]anilino]ethanol.
What is the SMILES notation for 2-[4-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]anilino]ethanol?
The canonical SMILES for 2-[4-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]anilino]ethanol is COCCc1noc(-c2ccc(NCCO)cc2)n1.
What is the InChIKey of 2-[4-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]anilino]ethanol?
The InChIKey is LIAUOXZYAGJLKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3/c1-18-9-6-12-15-13(19-16-12)10-2-4-11(5-3-10)14-7-8-17/h2-5,14,17H,6-9H2,1H3.
What are the key properties of 2-[4-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]anilino]ethanol?
2-[4-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]anilino]ethanol has a molecular weight of 263.30 g/mol, XLogP of 1.33, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]anilino]ethanol is sourced from PubChem (CID 61412543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).